Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | TRPV1 | Q8NER1 | 8/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | ESRRG | P62508 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | MITF | O75030 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8920984 | 1.00 | CYP1A2 (0.46) | CYP1A2TRPV1CA1CA2ESRRG | |
| SCHEMBL8920987 | 1.00 | CYP1A2 (0.46) | CYP1A2TRPV1CA1CA2ESRRG | |
| SCHEMBL22612509 | 0.83 | CYP1A2 (0.50) | CYP1A2TRPV1CA1CA2ESRRG | |
| SCHEMBL8919775 | 0.82 | ALDH1A1 (0.53) | MAPTSMN1; SMN2MEN1NPC1RAB9A | |
| SCHEMBL8919781 | 0.82 | ALDH1A1 (0.53) | MAPTSMN1; SMN2MEN1NPC1RAB9A | |
| SCHEMBL8919779 | 0.82 | ALDH1A1 (0.53) | MAPTSMN1; SMN2MEN1NPC1RAB9A | |
| Tert-Butylbenzene SCHEMBL31552779 | 0.78 | ABCG2 (0.46) | TRPV1CA1CA2ESRRGMAPT | |
| SCHEMBL27807205 | 0.77 | CYP1A2 (0.48) | CYP1A2TRPV1CA1CA2ESRRG | |
| SCHEMBL28038607 | 0.77 | CYP1A2 (0.48) | CYP1A2TRPV1CA1CA2ESRRG | |
| SCHEMBL2005650 | 0.75 | AKR1C3 (0.62) | CYP1A2TRPV1CA1CA2ESRRG |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0802897-A1 | NOVEL COMPOUNDS | Smithkline Beecham S.p.A. (IT) | 1997-10-29 | — | — | EP | disclosed |
| WO-1996021638-A1 | NOVEL COMPOUNDS | SMITHKLINE BEECHAM S.P.A. (IT) | 1996-07-18 | — | — | WO | disclosed |