Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 5/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.39 |
| ▸ | MGLL | Q99685 | 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 | |
|---|---|---|---|---|
| SCHEMBL16202001 | 0.81 | CYP1A2 (0.48) | CYP1A2CYP2C9HTTADORA3P2RX7 | |
| SCHEMBL22897465 | 0.80 | CYP1A2 (0.47) | CYP1A2CYP2C9HTTADORA3P2RX7 | |
| SCHEMBL6132524 | 0.80 | CYP1A2 (0.47) | CYP1A2CYP2C9HTTADORA3P2RX7 | |
| SCHEMBL6614645 | 0.77 | CYP1A2 (0.44) | CYP1A2CYP2C9HTTADORA3P2RX7 | |
| SCHEMBL2210435 | 0.76 | SMN1; SMN2 (0.47) | MAPTRAB9AKMT2AMEN1NPC1 | |
| SCHEMBL6616124 | 0.76 | PTGS2 (0.44) | CYP1A2CYP2C9HTTADORA3P2RX7 | |
| SCHEMBL4548444 | 0.76 | P2RX7 (0.51) | CYP1A2CYP2C9HTTADORA3P2RX7 | |
| SCHEMBL4548450 | 0.76 | ALDH1A1 (0.47) | CYP1A2CYP2C9HTTADORA3P2RX7 | |
| SCHEMBL6619440 | 0.75 | CYP1A2 (0.42) | CYP1A2CYP2C9HTTADORA3P2RX7 | |
| SCHEMBL6616454 | 0.75 | P2RX7 (0.43) | CYP1A2CYP2C9HTTADORA3P2RX7 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1442026-A1 | TRIAZOLE DERIVATIVES AS CYCLOOXYGENASE (COX) INHIBITORS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2004-08-04 | — | — | EP | disclosed |
| WO-2003040110-A1 | TRIAZOLE DERIVATIVES AS CYCLOOXYGENASE (COX) INHIBITORS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2003-05-15 | — | — | WO | disclosed |
| EP-0157259-A1 | 3-Mercapto-1,2,4-triazacycloalcadiene derivatives | CIBA-GEIGY AG (CH) | 1985-10-09 | — | — | EP | disclosed |
| US-4268680-A | FUNGICIDES, BACTERICIDES | JANSSEN PHARMACEUTICA N.V. (BE) | 1981-05-19 | — | — | US | disclosed |
| US-4244964-A | FUNGICIDES, BACTERICIDES | JANSSEN PHARMACEUTICA N.V. (BE) | 1981-01-13 | — | — | US | disclosed |
| US-4232034-A | FUNGICIDES, BACTERICIDES | JANSSEN PHARMACEUTICA, N.V. (BE) | 1980-11-04 | — | — | US | disclosed |
| US-4229581-A | FUNGICIDES, BACTERICIDES | JANSSEN PHARMACEUTICA N.V. (BE) | 1980-10-21 | — | — | US | disclosed |
| US-4229460-A | FUNGICIDES, BACTERICIDES | JANSSEN PHARMACEUTICA N.V. (BE) | 1980-10-21 | — | — | US | disclosed |
| US-4160841-A | FUNGICIDES, BACTERICIDES | JANSSEN PHARMACEUTICA, N.V. (BE) | 1979-07-10 | — | — | US | disclosed |