Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 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 | |
|---|---|---|---|---|
| SCHEMBL21596594 | 0.81 | TRPM8 (0.50) | RAB9ANPC1NFE2L2ALDH1A1TRPM8 | |
| SCHEMBL23244052 | 0.81 | TRPM8 (0.50) | RAB9ANPC1NFE2L2ALDH1A1TRPM8 | |
| SCHEMBL8321392 | 0.77 | RAB9A (0.42) | RAB9ANPC1KMT2ANFE2L2ALDH1A1 | |
| SCHEMBL1004985 | 0.76 | POLB (0.41) | KDM4EMAPTHPGDCYP3A4CHRNA7 | |
| SCHEMBL1006660 | 0.75 | IDO1 (0.43) | TRPM8KDM4EMAPTHPGDCYP3A4 | |
| SCHEMBL1071370 | 0.74 | MAPT (0.53) | RAB9AKMT2AALDH1A1KDM4EMAPT | |
| SCHEMBL3148517 | 0.72 | MAPT (0.51) | RAB9ANPC1KMT2AALDH1A1KDM4E | |
| SCHEMBL1156837 | 0.71 | ALDH1A1 (0.58) | RAB9ANPC1NFE2L2ALDH1A1CYP2A6 | |
| SCHEMBL600597 | 0.69 | HTT (0.70) | RAB9AKMT2ATRPM8MAPTLMNA | |
| SCHEMBL154420 | 0.69 | HTT (0.70) | RAB9AKMT2ATRPM8MAPTLMNA |
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-0799040-A4 | TRISUBSTITUTED THIOXANTHINES | EURO CELTIQUE SA (LU) | 1998-04-01 | — | — | EP | claimed |
| EP-0799040-A1 | TRISUBSTITUTED THIOXANTHINES | Euroceltique S.A. (LU) | 1997-10-08 | — | — | EP | claimed |
| WO-1996018400-A1 | TRISUBSTITUTED THIOXANTHINES | EURO-CELTIQUE, S.A. (LU) | 1996-06-20 | — | — | WO | claimed |