Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 4/20 | 0.37 |
| ▸ | RAB9A | P51151 | 4/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.37 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5322973 | 0.87 | ALDH1A1 (0.48) | ALDH1A1KDM4ENPSR1NPC1RAB9A | |
| SCHEMBL5327710 | 0.81 | ALDH1A1 (0.33) | ALDH1A1KDM4ENPSR1SMN1; SMN2HPGD | |
| SCHEMBL5320649 | 0.80 | PTH1R (0.40) | ALDH1A1KDM4ENPSR1MAPTCCKBR | |
| SCHEMBL5321521 | 0.78 | PTH1R (0.38) | ALDH1A1KDM4ENPSR1SMN1; SMN2CYP3A4 | |
| SCHEMBL5324581 | 0.77 | CES2 (0.41) | ALDH1A1KDM4ENPSR1SMN1; SMN2HPGD | |
| SCHEMBL5320501 | 0.77 | CES2 (0.41) | ALDH1A1KDM4ENPSR1SMN1; SMN2HPGD | |
| SCHEMBL5325094 | 0.77 | CES2 (0.41) | ALDH1A1KDM4ENPSR1SMN1; SMN2HPGD | |
| SCHEMBL5324527 | 0.77 | CES2 (0.41) | ALDH1A1KDM4ENPSR1SMN1; SMN2HPGD | |
| SCHEMBL5321802 | 0.77 | CES2 (0.41) | ALDH1A1KDM4ENPSR1SMN1; SMN2HPGD | |
| SCHEMBL5322257 | 0.76 | ALDH1A1 (0.33) | ALDH1A1KDM4ENPSR1SMN1; SMN2HPGD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006129120-A9 | BENZOTRIAZEPINONE DERIVATIVES | JAMES BLACK FOUNDATION (GB) | 2007-03-22 | — | — | WO | disclosed |
| WO-2006129120-A2 | BENZOTRIAZEPINONE DERIVATIVES | JAMES BLACK FOUNDATION (GB) | 2006-12-07 | — | — | WO | disclosed |