Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.49 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.49 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.47 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.47 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.43 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.43 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL27961047 | 0.85 | CYP1A2 (0.68) | CYP1A2TDP1ALDH1A1MAPK1GPR35 | |
| SCHEMBL10033263 | 0.84 | CYP1A2 (0.58) | CYP1A2TDP1ALDH1A1MAPK1GPR35 | |
| SCHEMBL7783341 | 0.82 | CYP1A2 (0.60) | CYP1A2TDP1ALDH1A1MAPK1GPR35 | |
| SCHEMBL10890268 | 0.82 | CYP1A2 (0.64) | CYP1A2TDP1ALDH1A1MAPK1GPR35 | |
| SCHEMBL10891708 | 0.82 | CYP1A2 (0.64) | CYP1A2TDP1ALDH1A1MAPK1GPR35 | |
| SCHEMBL26806570 | 0.81 | TDP1 (0.49) | CYP1A2TDP1ALDH1A1MAPK1HIF1A | |
| SCHEMBL14350916 | 0.81 | ERN1 (0.44) | CYP1A2TDP1ALDH1A1HPGDTSHR | |
| SCHEMBL8593072 | 0.80 | CYP1A2 (0.62) | CYP1A2TDP1ALDH1A1MAPK1GPR35 | |
| SCHEMBL7803748 | 0.80 | ERN1 (0.54) | CYP1A2ALDH1A1MAPK1GPR35TP53 | |
| SCHEMBL2791779 | 0.80 | ALDH1A1 (0.45) | CYP1A2ALDH1A1MAPK1TP53MAPT |
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-4415572-A | CARDIOTONIC AND INOTROPIC AGENTS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1983-11-15 | — | — | US | disclosed |