Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 2/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | PTGER4 | P35408 | 2/20 | 0.51 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL22891351 | 0.91 | CYP1A2 (0.57) | GAATSHRALDH1A1TP53CA1 | |
| SCHEMBL4448975 | 0.90 | PTGER4 (0.62) | GAATSHRALDH1A1TP53KDM4E | |
| SCHEMBL11483350 | 0.88 | EPAS1 (0.53) | GAATSHRALDH1A1TP53CA1 | |
| SCHEMBL8901023 | 0.87 | PNLIP (0.52) | GAATSHRALDH1A1KDM4EHPGD | |
| SCHEMBL5357266 | 0.85 | GAA (0.51) | GAATSHRALDH1A1TP53CA1 | |
| SCHEMBL4445314 | 0.85 | MRGPRX4 (0.60) | GAATSHRALDH1A1TP53CA1 | |
| SCHEMBL8902333 | 0.84 | PARP10 (0.50) | GAAALDH1A1KDM4EHPGDSMN1; SMN2 | |
| SCHEMBL7861651 | 0.84 | KMT2A (0.55) | ALDH1A1KDM4EHPGDSMN1; SMN2MEN1 | |
| SCHEMBL11484213 | 0.83 | MYC (0.49) | GAATSHRALDH1A1TP53CA1 | |
| SCHEMBL5363227 | 0.83 | EPAS1 (0.60) | GAATSHRALDH1A1TP53CA1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4118572-A | CNS DEPRESSANTS, NEUROLEPTIC AGENTS, SCHIZOPHRENIA, TRANQUILIZERS | HOFFMANN-LA ROCHE INC. (US) | 1978-10-03 | — | — | US | disclosed |
| US-4105664-A | Dibenz[b,f]oxepin derivatives | HOFFMANN-LA ROCHE INC. (US) | 1978-08-08 | — | — | US | disclosed |
| US-4100173-A | DEPRESSANTS, SCHIZOPHRENIA, TRANQUILIZERS | HOFFMANN-LA ROCHE INC. (US) | 1978-07-11 | — | — | US | disclosed |
| US-4091023-A | ANTISCHIZOPHRENIA AGENTS, TRANQUILIZERS | HOFFMANN-LA ROCHE INC. (US) | 1978-05-23 | — | — | US | disclosed |
| US-4032525-A | CNS DEPRESSANTS, NEUROLEPTICS | HOFFMANN-LA ROCHE INC. (US) | 1977-06-28 | — | — | US | disclosed |