Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 2/20 | 0.64 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.64 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.54 |
| ▸ | HPGD | P15428 | 2/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | CLK1 | P49759 | 1/20 | 0.48 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.48 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.48 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.47 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.47 |
| ▸ | GFER | P55789 | 2/20 | 0.44 |
| ▸ | DAO | P14920 | 1/20 | 0.43 |
| ▸ | LDHA | P00338 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.40 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL2001537 | 0.86 | HSD17B10 (0.68) | MCL1GPR35HSD17B10ALDH1A1KDM4E | |
| SCHEMBL10254076 | 0.82 | MCL1 (0.64) | MCL1GPR35HSD17B10ALDH1A1KDM4E | |
| SCHEMBL3056564 | 0.81 | L3MBTL1 (0.59) | MCL1GPR35HSD17B10ALDH1A1KDM4E | |
| SCHEMBL22588171 | 0.81 | MCL1 (0.58) | MCL1GPR35HSD17B10ALDH1A1KDM4E | |
| SCHEMBL2828847 | 0.81 | MCL1 (0.62) | MCL1GPR35HSD17B10ALDH1A1KDM4E | |
| SCHEMBL31623400 | 0.81 | MCL1 (0.62) | MCL1GPR35HSD17B10ALDH1A1KDM4E | |
| SCHEMBL31623397 | 0.81 | MCL1 (0.62) | MCL1GPR35HSD17B10ALDH1A1KDM4E | |
| SCHEMBL5744064 | 0.81 | HSD17B10 (0.76) | MCL1GPR35HSD17B10ALDH1A1KDM4E | |
| SCHEMBL29897910 | 0.81 | HSD17B10 (0.76) | MCL1GPR35HSD17B10ALDH1A1KDM4E | |
| SCHEMBL6752295 | 0.81 | MCL1 (0.76) | MCL1GPR35HSD17B10ALDH1A1KDM4E |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017179926-A1 | NOVEL BENZOTHIOPHENE DERIVATIVE, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF OR OPTICAL ISOMER THEREOF, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION, CONTAINING SAME AS ACTIVE INGREDIENT, FOR PREVENTING OR TREATING VIRAL DISEASE | 한국화학연구원 | 2017-10-19 | — | — | WO | disclosed |
| US-8551999-B2 | Heterocyclic compound and pharmaceutical composition thereof | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2013-10-08 | — | — | US | disclosed |
| CN-103224488-A | Heterocyclic compound or salt thereof | OTSUKA PHARMA CO LTD | 2013-07-31 | — | — | CN | disclosed |
| EP-2207773-B1 | HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF | OTSUKA PHARMA CO LTD (JP) | 2012-07-11 | — | — | EP | disclosed |
| US-20100261720-A1 | HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2010-10-14 | — | — | US | disclosed |
| CN-101842367-A | Heterocyclic compounds and pharmaceutical compositions thereof | OTSUKA PHARMA CO LTD | 2010-09-22 | — | — | CN | disclosed |
| EP-2207773-A2 | HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF | Otsuka Pharmaceutical Co., Ltd. (JP) | 2010-07-21 | — | — | EP | disclosed |
| WO-2009057811-A2 | HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2009-05-07 | — | — | WO | disclosed |
| CN-1315806-C | Substituted 2-amino-cycloalkanecarboxamides and their use as cysteine protease inhibitors | HOFFMANN LA ROCHE (CH) | 2007-05-16 | — | — | CN | disclosed |
| EP-1453801-B1 | SUBSTITUTED 2-AMINO-CYCLOALKANECARBOXAMIDES AND THEIR USE AS CYSTEINE PROTEASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2007-03-21 | — | — | EP | disclosed |
| EP-1453801-B1 | SUBSTITUTED 2-AMINO-CYCLOALKANECARBOXAMIDES AND THEIR USE AS CYSTEINE PROTEASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2007-03-21 | — | — | EP | disclosed |
| CN-1639119-A | Substituted 2-amino-cycloalkanecarboxamides and their use as cysteine protease inhibitors | HOFFMANN LA ROCHE (CH) | 2005-07-13 | — | — | CN | disclosed |
| EP-1453801-A1 | SUBSTITUTED 2-AMINO-CYCLOALKANECARBOXAMIDES AND THEIR USE AS CYSTEINE PROTEASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2004-09-08 | — | — | EP | disclosed |
| US-6759428-B2 | SUCH AS N-((1,2)-2-(((CYANO(CYCLOPROPYL)METHYL)AMINO)CARBONYL) CYCLOHEXYL)-1H-INDOLE-2-CARBOXAMIDE; CATHEPSIN K INHIBITORS | ROCHE PALO ALTO LLC | 2004-07-06 | — | — | US | disclosed |
| US-6747053-B2 | Heteroaryl nitriles | ROCHE PALO ALTO LLC | 2004-06-08 | — | — | US | disclosed |
| US-20040077646-A1 | Indole nitriles | ROCHE PALO ALTO LLC | 2004-04-22 | — | — | US | disclosed |
| US-20030212097-A1 | Heteroaryl nitriles | ROCHE PALO ALTO LLC | 2003-11-13 | — | — | US | disclosed |
| WO-2003048123-A1 | SUBSTITUTED 2-AMINO-CYCLOALKANECARBOXAMIDES AND THEIR USE AS CYSTEINE PROTEASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2003-06-12 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100261720-A1 | HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF | COL1A1, COL2A1, COL14A1 | MCL1 1935/4885GPR35 1033/4885HSD17B10 537/4885 |
| US-20030212097-A1 | Heteroaryl nitriles | UACA, FPR1, GSTA1 | MCL1 730/4885GPR35 1714/4885HSD17B10 1763/4885 |
| US-20040077646-A1 | Indole nitriles | TPH1, IDO1, NAT1 | MCL1 870/4885GPR35 2087/4885HSD17B10 2073/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.