Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 4/20 | 0.52 |
| ▸ | MEN1 | O00255 | 3/20 | 0.52 |
| ▸ | NPC1 | O15118 | 3/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | MAOA | P21397 | 1/20 | 0.51 |
| ▸ | MAOB | P27338 | 1/20 | 0.51 |
| ▸ | HGFAC | Q04756 | 1/20 | 0.51 |
| ▸ | NOS1 | P29475 | 3/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 4/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | APP | P05067 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | PLAU | P00749 | 1/20 | 0.47 |
| ▸ | MITF | O75030 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL9423002 | 1.00 | RAB9A (0.52) | RAB9AMEN1NPC1KMT2AMAOA | |
| SCHEMBL9423225 | 0.84 | NOS3 (0.57) | NOS1MAPK1NPSR1MAPTALDH1A1 | |
| SCHEMBL9423121 | 0.84 | ALDH1A1 (0.57) | RAB9AMEN1NPC1KMT2AHGFAC | |
| SCHEMBL9423124 | 0.84 | ALDH1A1 (0.57) | RAB9AMEN1NPC1KMT2AHGFAC | |
| SCHEMBL15322852 | 0.83 | NOS1 (0.54) | RAB9AMEN1NPC1KMT2AMAOA | |
| SCHEMBL15322849 | 0.83 | NOS1 (0.54) | RAB9AMEN1NPC1KMT2AMAOA | |
| SCHEMBL11897674 | 0.80 | CES2 (0.54) | RAB9AMEN1NPC1KMT2AMAOB | |
| SCHEMBL7460429 | 0.80 | CES1 (0.54) | MEN1KMT2ANOS1MAPK1NPSR1 | |
| SCHEMBL11897675 | 0.80 | CES2 (0.54) | RAB9AMEN1NPC1KMT2AMAOB | |
| SCHEMBL9423072 | 0.80 | TSHR (0.49) | RAB9AMEN1NPC1KMT2AGAA |
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 |
|---|---|---|---|---|---|---|---|
| US-5278180-A | 4,5-bis(aryl) 4H-1,2,4-triazoles derivatives and analgesic use | ROUSSEL UCLAF (FR) | 1994-01-11 | — | — | US | disclosed |