Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | ITGB3 | P05106 | 3/20 | 0.46 |
| ▸ | ITGA2B | P08514 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.42 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.42 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.42 |
| ▸ | F10 | P00742 | 1/20 | 0.41 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.41 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9266142 | 0.99 | ALDH1A1 (0.46) | ALDH1A1ITGB3ITGA2BNPC1RAB9A | |
| SCHEMBL7298011 | 0.88 | ITGB3 (0.57) | ALDH1A1ITGB3ITGA2BNPC1RAB9A | |
| Hydrochloric Acid SCHEMBL9270840 | 0.87 | ITGB3 (0.45) | ALDH1A1ITGB3ITGA2BHPGDNPSR1 | |
| Hydrochloric Acid SCHEMBL9270834 | 0.87 | ITGB3 (0.45) | ALDH1A1ITGB3ITGA2BHPGDNPSR1 | |
| SCHEMBL9269322 | 0.84 | MEN1 (0.51) | ALDH1A1NPC1RAB9ASMN1; SMN2HPGD | |
| SCHEMBL9271047 | 0.84 | MEN1 (0.51) | ALDH1A1NPC1RAB9ASMN1; SMN2HPGD | |
| Hydrochloric Acid SCHEMBL9270105 | 0.84 | HPGD (0.43) | ALDH1A1ITGB3ITGA2BHPGDNPSR1 | |
| Hydrochloric Acid SCHEMBL9270097 | 0.84 | HPGD (0.43) | ALDH1A1ITGB3ITGA2BHPGDNPSR1 | |
| SCHEMBL7301011 | 0.83 | POLB (0.57) | ALDH1A1SMN1; SMN2POLBADRB3GLA | |
| Hydrochloric Acid SCHEMBL9265744 | 0.82 | POLB (0.56) | ALDH1A1SMN1; SMN2POLBADRB3GLA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0381033-B1 | Carboxylic-acid and sulphonic-acid amides | HOFFMANN LA ROCHE (CH) | 1994-03-23 | — | — | EP | claimed |
| US-5256812-A | Antitumor agents, cardiovascular disorders; having amidino or guandino groups | HOFFMANN-LA ROCHE INC. (US) | 1993-10-26 | — | — | US | claimed |