Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 6/20 | 0.37 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TSPO | P30536 | 1/20 | 0.35 |
| ▸ | BCL2A1 | Q16548 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4784032 | 0.91 | FABP5 (0.41) | TSHRPDK1HTTFABP5MEN1 | |
| SCHEMBL28069712 | 0.84 | FABP5 (0.45) | TSHRHTTFABP5MEN1KMT2A | |
| SCHEMBL208874 | 0.83 | FABP5 (0.41) | TSHRHTTFABP5MEN1KMT2A | |
| SCHEMBL1526171 | 0.82 | FABP5 (0.40) | TSHRHTTFABP5MEN1KMT2A | |
| SCHEMBL6298094 | 0.81 | FABP5 (0.42) | TSHRHTTFABP5MEN1KMT2A | |
| SCHEMBL5372417 | 0.81 | FABP5 (0.39) | TSHRHTTFABP5MEN1KMT2A | |
| SCHEMBL5670740 | 0.80 | FABP5 (0.39) | TSHRHTTFABP5MEN1KMT2A | |
| SCHEMBL3433024 | 0.79 | HSD17B10 (0.39) | TSHRHTTFABP5MEN1KMT2A | |
| SCHEMBL4841403 | 0.78 | NPC1 (0.42) | TSHRFABP5MEN1KMT2AGPR55 | |
| SCHEMBL2637405 | 0.78 | FABP5 (0.39) | FABP5MEN1KMT2ATDP1TSPO |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7300934-B2 | Benzamide nitriles | ROCHE PALO ALTO LLC (US) | 2007-11-27 | — | — | US | 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-1633701-A1 | BENZAMIDE NITRILE DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 2006-03-15 | — | — | EP | disclosed |
| WO-2004106285-A1 | BENZAMIDE NITRILE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2004-12-09 | — | — | WO | disclosed |
| US-20040248949-A1 | Benzamide nitriles | ROCHE PALO ALTO LLC | 2004-12-09 | — | — | US | 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-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 (2 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-20030212097-A1 | Heteroaryl nitriles | UACA, FPR1, GSTA1 | TSHR 1738/4885PDK1 4469/4885HTT 3498/4885 |
| US-20040248949-A1 | Benzamide nitriles | CTSK, CTSS, CMA1 | TSHR 2609/4885PDK1 4359/4885HTT 2129/4885 |
“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.