Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRS3 | P32247 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | DHODH | Q02127 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.37 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.37 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9041200 | 0.79 | TSHR (0.45) | TSHRGAAAAK1NPC1RAB9A | |
| SCHEMBL5282388 | 0.75 | TSHR (0.45) | BRS3TSHRGAAAAK1NPC1 | |
| SCHEMBL9650280 | 0.74 | KDM4C (0.46) | BRS3TSHRGAAAAK1NPC1 | |
| Hydrochloric Acid SCHEMBL9043124 | 0.74 | TSHR (0.44) | BRS3TSHRGAAAAK1PTGS1 | |
| SCHEMBL9846978 | 0.73 | TSHR (0.46) | TSHRGAANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL2359872 | 0.71 | TSHR (0.34) | TSHRGAAAAK1NPC1RAB9A | |
| SCHEMBL9209849 | 0.71 | TSHR (0.44) | TSHRNPC1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL4310463 | 0.71 | TSHR (0.39) | TSHRAAK1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL13912949 | 0.71 | TSHR (0.39) | TSHRAAK1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL9847004 | 0.70 | IDO1 (0.42) | EPHX1IDO1TDO2 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2006129120-A9 | BENZOTRIAZEPINONE DERIVATIVES | JAMES BLACK FOUNDATION (GB) | 2007-03-22 | — | — | WO | disclosed |
| WO-2006129120-A2 | BENZOTRIAZEPINONE DERIVATIVES | JAMES BLACK FOUNDATION (GB) | 2006-12-07 | — | — | WO | disclosed |
| EP-0480155-B1 | 4-Substituted dihydropyrido (4,3-d)pyrimidines as analgesics and topical antiinflammatory agents for the treatment of skin disorders | HOECHST ROUSSEL PHARMA (US) | 1996-01-31 | — | — | EP | disclosed |
| EP-0480155-A2 | 4-Substituted dihydropyrido (4,3-d)pyrimidines as analgesics and topical antiinflammatory agents for the treatment of skin disorders | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1992-04-15 | — | — | EP | disclosed |
| US-5095019-A | 4-substituted dihydropyrido(4,3-D)pyrimidines as analgesics and topical antiinflammatory agents for the treatment of skin disorders | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1992-03-10 | — | — | US | disclosed |
| US-5059602-A | 4-substituted dihydropyrido(4,3-d)pyrimidines as analgesics and topical antiinflammatory agents for the treatment of skin disorders | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1991-10-22 | — | — | US | disclosed |
| EP-0435222-A2 | Aminopyridinylmethanols and aminomethylpyridinamines and related compounds, a process for their preparation and their use as medicaments | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1991-07-03 | — | — | EP | disclosed |