Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RIPK1 | Q13546 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ADH1B | P00325 | 1/20 | 0.40 |
| ▸ | ADH1C | P00326 | 1/20 | 0.40 |
| ▸ | ADH1A | P07327 | 1/20 | 0.40 |
| ▸ | ADH7 | P40394 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 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 | |
|---|---|---|---|---|
| SCHEMBL28034055 | 0.86 | LMNA (0.49) | RIPK1CYP2C19LMNASMN1; SMN2L3MBTL1 | |
| SCHEMBL28303247 | 0.76 | CA12 (0.48) | RIPK1LMNASMN1; SMN2L3MBTL1RAB9A | |
| SCHEMBL4556800 | 0.76 | NPC1 (0.47) | RIPK1LMNANPC1RAB9A | |
| SCHEMBL28270539 | 0.75 | TSHR (0.44) | CYP2C19LMNACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL3085177 | 0.74 | NPC1 (0.48) | CYP2C19LMNACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL16965772 | 0.73 | AOC3 (0.46) | L3MBTL1GAANPC1RAB9A | |
| SCHEMBL8854666 | 0.73 | CYP3A4 (0.50) | TSHRL3MBTL1CYP3A4ADH1BADH1C | |
| SCHEMBL5499258 | 0.73 | HPGD (0.45) | RIPK1CYP2C19CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL24501680 | 0.72 | IDO1 (0.46) | RIPK1LMNASMN1; SMN2L3MBTL1CYP3A4 | |
| SCHEMBL30689682 | 0.71 | CYP3A4 (0.48) | TSHRSMN1; SMN2L3MBTL1CYP3A4ADH1B |
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-2009145360-A1 | BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR | R-TECH UENO, LTD. (JP) | 2009-12-03 | — | — | WO | claimed |