Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.49 |
| ▸ | CPS1 | P31327 | 1/20 | 0.46 |
| ▸ | HTR4 | Q13639 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 5/20 | 0.45 |
| ▸ | RAB9A | P51151 | 5/20 | 0.45 |
| ▸ | MEN1 | O00255 | 5/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.45 |
| ▸ | HPGD | P15428 | 4/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.45 |
| ▸ | TP53 | P04637 | 2/20 | 0.45 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.45 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL10640715 | 0.99 | ALDH1A1 (0.48) | ALDH1A1SMN1; SMN2CPS1HTR4NPC1 | |
| SCHEMBL4126643 | 0.91 | NPC1 (0.53) | ALDH1A1SMN1; SMN2CPS1NPC1RAB9A | |
| SCHEMBL10637499 | 0.88 | NPC1 (0.57) | ALDH1A1SMN1; SMN2CPS1HTR4NPC1 | |
| Hydrochloric Acid SCHEMBL10640839 | 0.87 | NPC1 (0.55) | ALDH1A1SMN1; SMN2CPS1HTR4NPC1 | |
| SCHEMBL4115692 | 0.87 | KDM2B (0.47) | ALDH1A1SMN1; SMN2CPS1NPC1RAB9A | |
| SCHEMBL6987660 | 0.82 | KDM2B (0.58) | ALDH1A1SMN1; SMN2CPS1NPC1RAB9A | |
| SCHEMBL5997708 | 0.82 | NPC1 (0.47) | ALDH1A1SMN1; SMN2CPS1NPC1RAB9A | |
| SCHEMBL30323172 | 0.81 | CPS1 (0.68) | ALDH1A1SMN1; SMN2CPS1HTR4MEN1 | |
| SCHEMBL20524600 | 0.81 | CPS1 (0.68) | ALDH1A1SMN1; SMN2CPS1HTR4MEN1 | |
| Hydrochloric Acid SCHEMBL11619068 | 0.81 | KDM2B (0.57) | ALDH1A1SMN1; SMN2CPS1NPC1RAB9A |
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-4408053-A | ANALGESICS | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1983-10-04 | — | — | US | claimed |