Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.36 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 4/20 | 0.35 |
| ▸ | G6PD | P11413 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 6/20 | 0.35 |
| ▸ | BCHE | P06276 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
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 SCHEMBL10920364 | 0.99 | SIGMAR1 (0.44) | SIGMAR1SMN1; SMN2NPC1HPGDRAB9A | |
| SCHEMBL11034187 | 0.89 | ALOX5 (0.36) | SIGMAR1SMN1; SMN2PDE3BPDE3AALOX5 | |
| Hydrochloric Acid SCHEMBL10919928 | 0.88 | CYP3A4 (0.36) | SIGMAR1SMN1; SMN2NPC1HPGDRAB9A | |
| SCHEMBL11034098 | 0.80 | SIGMAR1 (0.49) | SIGMAR1SMN1; SMN2NPC1HPGDRAB9A | |
| Hydrochloric Acid SCHEMBL10916290 | 0.79 | SIGMAR1 (0.47) | SIGMAR1SMN1; SMN2NPC1HPGDRAB9A | |
| SCHEMBL10917391 | 0.77 | SIGMAR1 (0.49) | SIGMAR1SMN1; SMN2NPC1HPGDRAB9A | |
| SCHEMBL10920358 | 0.77 | SIGMAR1 (0.49) | SIGMAR1SMN1; SMN2NPC1HPGDRAB9A | |
| SCHEMBL10915863 | 0.77 | SIGMAR1 (0.45) | SIGMAR1SMN1; SMN2NPC1HPGDRAB9A | |
| SCHEMBL11033076 | 0.76 | SIGMAR1 (0.47) | SIGMAR1SMN1; SMN2NPC1HPGDRAB9A | |
| Hydrochloric Acid SCHEMBL10919365 | 0.75 | SIGMAR1 (0.44) | SIGMAR1SMN1; SMN2NPC1HPGDRAB9A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0102580-B1 | SUBSTITUTED 1,3,4-BENZOTRIAZEPINES, A METHOD OF PREPARING THE SAME AND THEIRE USE AS MEDICAMENTS | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1986-04-09 | — | — | EP | claimed |
| US-4482547-A | HYPOTENSIVE AGENTS | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1984-11-13 | — | — | US | claimed |
| EP-0102580-A1 | Substituted 1,3,4-benzotriazepines, a method of preparing the same and theire use as medicaments | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1984-03-14 | — | — | EP | claimed |