Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.46 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | ELANE | P08246 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | MLYCD | O95822 | 1/20 | 0.42 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.41 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA4 | P22748 | 1/20 | 0.40 |
| ▸ | CA6 | P23280 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL13664923 | 0.80 | CYP1A2 (0.45) | CYP1A2HSP90AA1HSP90AB1BLMELANE | |
| SCHEMBL4050727 | 0.79 | PKM (0.56) | CYP1A2MEN1KMT2AALDH1A1PDCD1 | |
| SCHEMBL2424457 | 0.79 | CA12 (0.65) | TSHRCA12CA1CA2CA4 | |
| SCHEMBL17894222 | 0.79 | MLYCD (0.42) | CYP1A2HSP90AA1HSP90AB1BLMMEN1 | |
| SCHEMBL4568348 | 0.78 | MLYCD (0.48) | CYP1A2HSP90AA1HSP90AB1BLMELANE | |
| SCHEMBL5604944 | 0.78 | CYP1A2 (0.44) | CYP1A2HSP90AA1HSP90AB1BLMELANE | |
| SCHEMBL4181181 | 0.78 | MAPK1 (0.60) | ELANEALDH1A1TSHRPDE4APDE4B | |
| SCHEMBL13451040 | 0.78 | MAPK1 (0.59) | CYP1A2MEN1KMT2AALDH1A1PDCD1 | |
| SCHEMBL2252810 | 0.78 | MAPT (0.58) | CYP1A2MEN1KMT2AALDH1A1PDCD1 | |
| SCHEMBL1014530 | 0.77 | MAPT (0.51) | MEN1KMT2AALDH1A1CYP2C9HTT |
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-2009103478-A1 | PYRIDONE AND PYRIDAZINONE DERIVATIVES AS MCH ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-08-27 | — | — | WO | disclosed |