Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.79 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.79 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Toluene Diisocyanate SCHEMBL15384 | 0.88 | CYP3A4 (1.00) | CYP3A4TRPA1TDP1MAPK1TSHR | |
| Toluene Diisocyanate SCHEMBL29350148 | 0.88 | CYP3A4 (1.00) | CYP3A4TRPA1TDP1MAPK1TSHR | |
| Toluene Diisocyanate SCHEMBL19733056 | 0.88 | CYP3A4 (1.00) | CYP3A4TRPA1TDP1MAPK1TSHR | |
| Toluene Diisocyanate SCHEMBL28174227 | 0.88 | CYP3A4 (1.00) | CYP3A4TRPA1TDP1MAPK1TSHR | |
| Toluene Diisocyanate SCHEMBL29737260 | 0.88 | CYP3A4 (1.00) | CYP3A4TRPA1TDP1MAPK1TSHR | |
| Toluene Diisocyanate SCHEMBL4905176 | 0.86 | CYP3A4 (0.96) | CYP3A4TRPA1TDP1MAPK1TSHR | |
| Toluene Diisocyanate SCHEMBL11209945 | 0.86 | CYP3A4 (0.96) | CYP3A4TRPA1TDP1MAPK1TSHR | |
| Toluene Diisocyanate SCHEMBL11825443 | 0.86 | CYP3A4 (0.96) | CYP3A4TRPA1TDP1MAPK1TSHR | |
| Toluene Diisocyanate SCHEMBL20897289 | 0.86 | CYP3A4 (0.96) | CYP3A4TRPA1TDP1MAPK1TSHR | |
| Toluene Diisocyanate SCHEMBL6219230 | 0.86 | CYP3A4 (0.96) | CYP3A4TRPA1TDP1MAPK1TSHR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012177896-A1 | TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS | AMGEN INC. (US) | 2012-12-27 | — | — | WO | disclosed |