Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SOS1 | Q07889 | 1/20 | 0.50 |
| ▸ | CHEK2 | O96017 | 3/20 | 0.47 |
| ▸ | CA2 | P00918 | 7/20 | 0.46 |
| ▸ | CA1 | P00915 | 6/20 | 0.46 |
| ▸ | CA9 | Q16790 | 5/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.42 |
| ▸ | IKBKB | O14920 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.39 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.39 |
| ▸ | XDH | P47989 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9867067 | 0.86 | ADORA3 (0.56) | CA2CA1CA9NPC1RAB9A | |
| SCHEMBL9867503 | 0.82 | ADORA3 (0.52) | CA2CA1CA9ADORA3CA12 | |
| SCHEMBL9866517 | 0.78 | CA2 (0.51) | CHEK2CA2CA1CA9NPC1 | |
| SCHEMBL9868097 | 0.78 | CYP19A1 (0.58) | CA2CA1CA9NPC1RAB9A | |
| SCHEMBL9867816 | 0.76 | HSD17B1 (0.46) | CA2CA1CA9NPC1RAB9A | |
| SCHEMBL9869169 | 0.76 | CA2 (0.47) | CA2CA1CA9CA12 | |
| SCHEMBL9866328 | 0.76 | NPC1 (0.49) | CHEK2CA2CA1CA9NPC1 | |
| SCHEMBL9866053 | 0.76 | CA2 (0.43) | CA2CA1CA9ADORA3ADORA2A | |
| SCHEMBL9867042 | 0.74 | CYP19A1 (0.54) | CA2CA1CA9NPC1RAB9A | |
| SCHEMBL9865836 | 0.74 | CA2 (0.55) | CA2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4985450-A | TREATMENT OF GLAUCOMA | AVENTIS PHARMACEUTICALS INC. | 1991-01-15 | — | — | US | claimed |
| US-4985450-A | TREATMENT OF GLAUCOMA | AVENTIS PHARMACEUTICALS INC. | 1991-01-15 | — | — | US | disclosed |
| US-4873239-A | GLAUCOMA TREATMENT | HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) | 1989-10-10 | — | — | US | disclosed |
| EP-0276822-A1 | Arylthiadiazolylsulfonamides and derivatives, a process for their preparation and their use as medicaments | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1988-08-03 | — | — | EP | disclosed |
| US-4758578-A | Arylthiadiazolylsulfonamides, pharmaceutical compositions and use | HOECHST ROUSSEL PHARMACEUTICALS, INC. (US) | 1988-07-19 | — | — | US | disclosed |