Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.58 |
| ▸ | NPC1 | O15118 | 7/20 | 0.58 |
| ▸ | RAB9A | P51151 | 7/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.58 |
| ▸ | HPGD | P15428 | 1/20 | 0.58 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.58 |
| ▸ | MEN1 | O00255 | 2/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.57 |
| ▸ | MIF | P14174 | 1/20 | 0.57 |
| ▸ | DUSP1 | P28562 | 3/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | MMP2 | P08253 | 1/20 | 0.54 |
| ▸ | MMP9 | P14780 | 1/20 | 0.54 |
| ▸ | COMT | P21964 | 1/20 | 0.54 |
| ▸ | MMP8 | P22894 | 1/20 | 0.54 |
| ▸ | MMP13 | P45452 | 1/20 | 0.54 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 3/20 | 0.52 |
| ▸ | NRP1 | O14786 | 1/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL7979817 | 0.80 | CYP1A2 (0.51) | ALDH1A1NPC1RAB9ASMN1; SMN2HPGD | |
| SCHEMBL11167105 | 0.80 | RAB9A (0.80) | ALDH1A1NPC1RAB9ASMN1; SMN2HPGD | |
| SCHEMBL3054866 | 0.77 | ALDH1A1 (0.72) | ALDH1A1NPC1RAB9ASMN1; SMN2HPGD | |
| SCHEMBL28892777 | 0.76 | ALDH1A1 (0.82) | ALDH1A1NPC1RAB9ASMN1; SMN2HPGD | |
| SCHEMBL7229650 | 0.76 | DUSP1 (0.61) | ALDH1A1NPC1RAB9ASMN1; SMN2HPGD | |
| SCHEMBL3059625 | 0.76 | ALDH1A1 (0.74) | ALDH1A1NPC1RAB9ASMN1; SMN2HPGD | |
| SCHEMBL12067339 | 0.74 | ALDH1A1 (0.74) | ALDH1A1NPC1RAB9ASMN1; SMN2HPGD | |
| SCHEMBL7471000 | 0.74 | MEN1 (0.48) | ALDH1A1NPC1RAB9AHPGDMEN1 | |
| SCHEMBL7125139 | 0.73 | ALDH1A1 (0.57) | ALDH1A1NPC1RAB9ASMN1; SMN2HPGD | |
| SCHEMBL16918559 | 0.73 | RAB9A (0.86) | ALDH1A1NPC1RAB9ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2001087845-A2 | N-CONTAINING HETEROCYCLIC COMPOUNDS AND THEIR USE AS 5-HT ANTAGONISTS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2001-11-22 | — | — | WO | disclosed |