Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR4 | Q13639 | 2/20 | 0.73 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.60 |
| ▸ | HTT | P42858 | 1/20 | 0.60 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.60 |
| ▸ | MAPT | P10636 | 1/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.60 |
| ▸ | DRD2 | P14416 | 2/20 | 0.59 |
| ▸ | DRD4 | P21917 | 2/20 | 0.59 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.59 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.58 |
| ▸ | BCHE | P06276 | 6/20 | 0.55 |
| ▸ | ACHE | P22303 | 6/20 | 0.55 |
| ▸ | MAOB | P27338 | 1/20 | 0.55 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.54 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | THPO | P40225 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL3166017 | 0.84 | HTR4 (1.00) | HTR4ALDH1A1GRIN2BCYP1A2CYP2D6 | |
| SCHEMBL13036127 | 0.83 | HTR4 (0.80) | HTR4ALDH1A1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL9572763 | 0.81 | ALDH1A1 (0.68) | HTR4ALDH1A1HTTMAPK14MAPT | |
| SCHEMBL8287634 | 0.81 | DRD4 (0.67) | DRD2DRD4BCHEACHEMAOB | |
| SCHEMBL3157641 | 0.80 | HTR4 (0.78) | HTR4ALDH1A1HTTMAPK14MAPT | |
| SCHEMBL7271052 | 0.80 | RAB9A (0.53) | HTR4ALDH1A1HTTMAPK14MAPT | |
| SCHEMBL7303858 | 0.79 | HTR4 (0.69) | HTR4ALDH1A1HTTMAPTKMT2A | |
| SCHEMBL13036110 | 0.79 | HTR4 (0.75) | HTR4ALDH1A1DRD2GRIN2BCYP1A2 | |
| SCHEMBL8549859 | 0.79 | DRD2 (0.85) | DRD2DRD4BCHEACHEMAOB | |
| SCHEMBL10778956 | 0.78 | SIGMAR1 (0.71) | HTR4ALDH1A1HTTMAPK14MAPT |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5998409-A | GASTROINTESTINAL DISORDERS; CARDIOVASCULAR DISORDERS; NERVOUS SYSTEM DISORDERS | SMITHKLINE BEECHAM PLC (GB) | 1999-12-07 | — | — | US | disclosed |
| EP-0630376-B1 | CONDENSED INDOLE DERIVATIVES AS 5-HT4-RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1999-06-02 | — | — | EP | disclosed |
| US-5852014-A | Condensed indole derivatives as 5HT4 -receptor antagonists | SMITHKLINE BEECHAM P.L.C. (GB) | 1998-12-22 | — | — | US | disclosed |
| EP-0501322-B1 | 3-Piperidinylmethylcarboxylate substituted indoles | GLAXO GROUP LTD (GB) | 1996-09-04 | — | — | EP | disclosed |
| EP-0630376-A1 | CONDENSED INDOLE DERIVATIVES AS 5HT 4?-RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1994-12-28 | — | — | EP | disclosed |
| WO-1993018036-A1 | CONDENSED INDOLE DERIVATIVES AS 5HT4-RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1993-09-16 | — | — | WO | disclosed |
| EP-0501322-A1 | 3-Piperidinylmethylcarboxylate substituted indoles | GLAXO GROUP LIMITED (GB) | 1992-09-02 | — | — | EP | disclosed |