Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | RAB9A | P51151 | 4/20 | 0.50 |
| ▸ | NPC1 | O15118 | 3/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 4/20 | 0.43 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.41 |
| ▸ | WNT3A | P56704 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 2/20 | 0.41 |
| ▸ | ALPL | P05186 | 1/20 | 0.41 |
| ▸ | TTK | P33981 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL23908909 | 0.83 | CYP1A2 (0.53) | CYP1A2KDM4EALDH1A1RAB9ANPC1 | |
| SCHEMBL30727481 | 0.83 | CYP1A2 (0.53) | CYP1A2KDM4EALDH1A1RAB9ANPC1 | |
| SCHEMBL21591507 | 0.81 | CYP1A2 (0.58) | CYP1A2KDM4EALDH1A1RAB9ANPC1 | |
| SCHEMBL9078088 | 0.80 | CYP1A2 (0.49) | CYP1A2KDM4EALDH1A1RAB9ANPC1 | |
| SCHEMBL11806745 | 0.80 | CTNNB1 (0.51) | CYP1A2KDM4EALDH1A1RAB9ANPC1 | |
| SCHEMBL9865079 | 0.76 | AR (0.44) | CYP1A2KDM4ERAB9AHPGDLMNA | |
| SCHEMBL320109 | 0.76 | KDM4E (0.46) | CYP1A2KDM4EALDH1A1RAB9ANPC1 | |
| SCHEMBL23908935 | 0.75 | LMNA (0.62) | CYP1A2KDM4EALDH1A1RAB9ANPC1 | |
| SCHEMBL960151 | 0.74 | KDM4E (0.52) | CYP1A2KDM4EALDH1A1RAB9ANPC1 | |
| SCHEMBL23909017 | 0.71 | SMN1; SMN2 (0.66) | CYP1A2KDM4EALDH1A1RAB9ANPC1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4988695-A | Gastrointestinal disorders, antisecretory agents | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1991-01-29 | — | — | US | disclosed |
| EP-0380257-A2 | Condensed cinnoline derivatives, process and intermediates for their preparation and pharmaceutical compositions containing them | SMITHKLINE BECKMAN INTERCREDIT B.V. (NL) | 1990-08-01 | — | — | EP | disclosed |