Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | PPIA | P62937 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.38 |
| ▸ | KDM4A | O75164 | 1/20 | 0.36 |
| ▸ | KDM4B | O94953 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8528182 | 0.84 | VCAM1 (0.46) | TSHRCYP3A4ALDH1A1RECQLPPIA | |
| SCHEMBL1771230 | 0.84 | TSHR (0.43) | TSHRCYP3A4ALDH1A1RECQLMAPT | |
| SCHEMBL22289120 | 0.79 | TSHR (0.42) | TSHRCYP3A4ALDH1A1MAPK1VCAM1 | |
| SCHEMBL3175084 | 0.79 | TSHR (0.48) | TSHRCYP3A4ALDH1A1RECQLPPIA | |
| SCHEMBL29804082 | 0.79 | TSHR (0.48) | TSHRCYP3A4ALDH1A1RECQLPPIA | |
| SCHEMBL2589872 | 0.79 | ALDH1A1 (0.51) | CYP3A4ALDH1A1MAPTHSD17B10 | |
| Bromide SCHEMBL4989837 | 0.77 | TSHR (0.47) | TSHRCYP3A4ALDH1A1RECQLPPIA | |
| SCHEMBL16013560 | 0.77 | TSHR (0.50) | TSHRCYP3A4ALDH1A1RECQLPPIA | |
| SCHEMBL5068830 | 0.77 | PPIA (0.47) | TSHRCYP3A4ALDH1A1RECQLPPIA | |
| SCHEMBL11046388 | 0.77 | VCAM1 (0.46) | TSHRCYP3A4ALDH1A1RECQLPPIA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5834494-A | SEROTONIN 5HT2B/2C RECEPTOR ANTAGONISTS; CNS NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDERS; IRRITABLE BOWEL SYNDROME | SMITHKLINE BEECHAM P.L.C. (GB) | 1998-11-10 | — | — | US | disclosed |
| EP-0707581-B1 | INDOLINE DERIVATIVES AS 5HT2C ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1997-02-26 | — | — | EP | disclosed |
| EP-0707581-A1 | INDOLINE DERIVATIVES AS 5HT 2C? ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1996-04-24 | — | — | EP | disclosed |
| WO-1995001976-A1 | INDOLINE DERIVATIVES AS 5HT2C ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1995-01-19 | — | — | WO | disclosed |