Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | MAOB | P27338 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | APP | P05067 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | CASR | P41180 | 1/20 | 0.33 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.32 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.32 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.32 |
| ▸ | LTA4H | P09960 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8476668 | 0.86 | TSHR (0.48) | CYP3A4TP53TSHRMAOBALDH1A1 | |
| SCHEMBL6617442 | 0.79 | CHRM2 (0.34) | TSHRMAPK1 | |
| SCHEMBL8472554 | 0.78 | CHRNB2 (0.49) | TSHRMAOBALDH1A1POLBMAPT | |
| SCHEMBL112113 | 0.73 | CYP3A4 (0.63) | CYP3A4TP53TSHRMAOBALDH1A1 | |
| SCHEMBL8472790 | 0.71 | CYP3A4 (0.41) | CYP3A4TP53TSHRMAOBALDH1A1 | |
| SCHEMBL4958479 | 0.70 | CYP3A4 (0.59) | CYP3A4TP53TSHRMAOBALDH1A1 | |
| SCHEMBL27669995 | 0.70 | CYP3A4 (0.65) | CYP3A4TP53TSHRMAOBALDH1A1 | |
| SCHEMBL10635987 | 0.70 | LMNA (0.61) | CYP3A4TP53TSHRMAOBALDH1A1 | |
| SCHEMBL3544164 | 0.70 | CYP3A4 (0.59) | CYP3A4TP53TSHRMAOBALDH1A1 | |
| SCHEMBL14497405 | 0.70 | CYP3A4 (0.54) | CYP3A4TP53TSHRMAOBALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5972937-A | Heterocyclic compounds possessing 5HT2C receptor antagonist activity | SMITHKLINE BEECHAM P.L.C. (GB) | 1999-10-26 | — | — | US | disclosed |
| EP-0807104-A2 | HETEROCYCLIC COMPOUNDS POSSESSING 5HT 2C? RECEPTOR ANTAGONIST ACTIVITY | SMITHKLINE BEECHAM PLC (GB) | 1997-11-19 | — | — | EP | disclosed |
| WO-1996023769-A2 | HETEROCYCLIC COMPOUNDS POSSESSING 5HT2C RECEPTOR ANTAGONIST ACTIVITY | SMITHKLINE BEECHAM PLC (GB) | 1996-08-08 | — | — | WO | disclosed |