Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.71 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.71 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.37 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
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 SCHEMBL27995911 | 0.84 | CYP3A4 (0.86) | CYP3A4TRPA1TDP1MAPK1GABRA1 | |
| Toluene Diisocyanate SCHEMBL19733056 | 0.84 | CYP3A4 (1.00) | CYP3A4TRPA1TDP1MAPK1GABRA1 | |
| Toluene Diisocyanate SCHEMBL28174227 | 0.84 | CYP3A4 (1.00) | CYP3A4TRPA1TDP1MAPK1GABRA1 | |
| Toluene Diisocyanate SCHEMBL29350148 | 0.84 | CYP3A4 (1.00) | CYP3A4TRPA1TDP1MAPK1GABRA1 | |
| Toluene Diisocyanate SCHEMBL29737260 | 0.84 | CYP3A4 (1.00) | CYP3A4TRPA1TDP1MAPK1GABRA1 | |
| Toluene Diisocyanate SCHEMBL15384 | 0.84 | CYP3A4 (1.00) | CYP3A4TRPA1TDP1MAPK1GABRA1 | |
| Toluene Diisocyanate SCHEMBL2054278 | 0.83 | CYP3A4 (0.83) | CYP3A4TRPA1TDP1MAPK1GABRA1 | |
| Toluene Diisocyanate SCHEMBL3662949 | 0.82 | CYP3A4 (0.89) | CYP3A4TRPA1TDP1MAPK1GABRA1 | |
| SCHEMBL28282974 | 0.82 | CYP3A4 (0.50) | CYP3A4TRPA1TDP1MAPK1GABRA1 | |
| Toluene Diisocyanate SCHEMBL4905176 | 0.82 | CYP3A4 (0.96) | CYP3A4TRPA1TDP1MAPK1GABRA1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7501381-B2 | Reversible thermosensitive recording medium, image processing method, and image processing apparatus | RICOH COMPANY, LTD. (JP) | 2009-03-10 | — | — | US | disclosed |