Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.33 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 4/20 | 0.32 |
| ▸ | TSHR | P16473 | 3/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | PARP2 | Q9UGN5 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | TNKS | O95271 | 1/20 | 0.32 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | RAD52 | P43351 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL24507816 | 0.75 | CYP2A6 (0.41) | ALDH1A1HTR1AADRA1DADRA1AADRA1B | |
| SCHEMBL2830264 | 0.74 | ALDH1A1 (0.58) | ALDH1A1KDM4EHSP90AB1MEN1KMT2A | |
| SCHEMBL9864036 | 0.73 | GPR3 (0.46) | ALDH1A1CYP1A2KDM4EHPGDKMT2A | |
| SCHEMBL3279694 | 0.69 | KDM4E (0.41) | ALDH1A1CYP1A2KDM4EHPGDTSHR | |
| SCHEMBL18436374 | 0.65 | AXL (0.46) | HTR1AADRA1DADRA1AADRA1BCYP1A2 | |
| SCHEMBL10810254 | 0.65 | ELANE (0.44) | ALDH1A1CYP1A2CYP2A6KDM4EHPGD | |
| SCHEMBL11210067 | 0.64 | CYP2A6 (0.41) | ALDH1A1CYP1A2CYP2A6KDM4ETSHR | |
| SCHEMBL2125784 | 0.63 | KDM4E (0.49) | ALDH1A1CYP1A2CYP2A6KDM4ETSHR | |
| SCHEMBL10757356 | 0.63 | CYP2A6 (0.39) | ALDH1A1HTR1AADRA1DADRA1AADRA1B | |
| SCHEMBL9865079 | 0.62 | AR (0.44) | CYP1A2KDM4EHPGDTSHRPOLB |
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 |