Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 2/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.36 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.36 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.35 |
| ▸ | CPA1 | P15085 | 2/20 | 0.34 |
| ▸ | PAM | P19021 | 2/20 | 0.34 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.34 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.34 |
| ▸ | CPB1 | P15086 | 1/20 | 0.34 |
| ▸ | CPA3 | P15088 | 1/20 | 0.34 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.34 |
| ▸ | CTRB1 | P17538 | 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 | |
|---|---|---|---|---|
| SCHEMBL2461732 | 0.88 | CES2 (0.39) | AKR1B1CES2CES1CTRB1 | |
| SCHEMBL6076922 | 0.81 | TSHR (0.40) | TSHRLTB4RLTB4R2CTRB1 | |
| SCHEMBL14746033 | 0.80 | NPC1 (0.36) | — | |
| SCHEMBL16398868 | 0.80 | TP53 (0.41) | CES2CTRB1 | |
| SCHEMBL17512439 | 0.80 | CALM1 (0.39) | CTRB1 | |
| SCHEMBL2457094 | 0.79 | PTPRA (0.38) | PTGS1CPA1CPB1CPA3CPB2 | |
| SCHEMBL16398956 | 0.79 | TDP1 (0.44) | TSHRCTRB1 | |
| SCHEMBL699638 | 0.78 | CTRB1 (0.33) | CTRB1 | |
| SCHEMBL3691132 | 0.78 | TBXAS1 (0.37) | TSHRPTGS1CPA1CPB1CPA3 | |
| SCHEMBL3698551 | 0.78 | TBXAS1 (0.37) | TSHRPTGS1CPA1CPB1CPA3 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2750678-B1 | ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE | PTC THERAPEUTICS INC (US) | 2017-03-22 | — | — | EP | disclosed |
| US-20150038438-A1 | ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE | PTC THERAPEUTICS, INC. | 2015-02-05 | — | — | US | disclosed |
| US-8921397-B2 | Benzofurane-piperidine compounds | HOFFMANN-LA ROCHE INC. (US) | 2014-12-30 | — | — | US | disclosed |
| EP-2582705-B1 | ANELLATED PYRIDINE COMPOUNDS AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS | HOFFMANN LA ROCHE (CH) | 2014-08-06 | — | — | EP | disclosed |
| EP-2750678-A1 | ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE | PTC Therapeutics, Inc. (US) | 2014-07-09 | — | — | EP | disclosed |
| EP-2704707-A1 | NOVEL BENZOFURANE-PIPERIDINE COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2014-03-12 | — | — | EP | disclosed |
| US-8586579-B2 | Anellated pyridine compounds | HOFFMANN-LA ROCHE INC. (US) | 2013-11-19 | — | — | US | disclosed |
| EP-2582705-A1 | ANELLATED PYRIDINE COMPOUNDS AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS | F.HOFFMANN-LA ROCHE AG (CH) | 2013-04-24 | — | — | EP | disclosed |
| WO-2013033228-A1 | ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE | PTC THERAPEUTICS, INC. (US) | 2013-03-07 | — | — | WO | disclosed |
| WO-2012150231-A1 | NOVEL BENZOFURANE-PIPERIDINE COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-11-08 | — | — | WO | disclosed |
| US-20120283254-A1 | NOVEL BENZOFURANE-PIPERIDINE COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-11-08 | — | — | US | disclosed |
| WO-2011161009-A1 | ANELLATED PYRIDINE COMPOUNDS AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-12-29 | — | — | WO | disclosed |
| US-20110313151-A1 | ANELLATED PYRIDINE COMPOUNDS | HOFFMANN-LA ROCHE, INC. | 2011-12-22 | — | — | US | 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-20120283254-A1 | NOVEL BENZOFURANE-PIPERIDINE COMPOUNDS | HTR2A, HTR2C, HTR1E | AKR1B1 1320/4885CES2 509/4885CES1 1791/4885 |
| US-20150038438-A1 | ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE | MRPL21, SLC11A2, CLPP | AKR1B1 4671/4885CES2 1129/4885CES1 2964/4885 |
| US-20110313151-A1 | ANELLATED PYRIDINE COMPOUNDS | ADORA3, ADORA2A, HTR3A | AKR1B1 286/4885CES2 649/4885CES1 1484/4885 |
“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.