Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.37 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8846251 | 1.00 | TSHR (0.44) | TSHRCYP1A2CYP2C9HPGDTDP1 | |
| SCHEMBL9420580 | 0.87 | CNR2 (0.41) | CYP1A2TDP1MAPTCNR2ALDH1A1 | |
| SCHEMBL9420583 | 0.87 | CNR2 (0.41) | CYP1A2TDP1MAPTCNR2ALDH1A1 | |
| SCHEMBL9420682 | 0.83 | HDAC3 (0.40) | CYP1A2TDP1CNR2NPC1RAB9A | |
| SCHEMBL9420680 | 0.83 | HDAC3 (0.40) | CYP1A2TDP1CNR2NPC1RAB9A | |
| SCHEMBL17866584 | 0.81 | CNR2 (0.45) | CYP1A2CYP2C9MAPTCNR2ALDH1A1 | |
| SCHEMBL17866582 | 0.81 | CNR2 (0.45) | CYP1A2CYP2C9MAPTCNR2ALDH1A1 | |
| SCHEMBL17866583 | 0.81 | CNR2 (0.45) | CYP1A2CYP2C9MAPTCNR2ALDH1A1 | |
| SCHEMBL14163359 | 0.80 | LMNA (0.50) | TDP1CNR2ALDH1A1LMNAMAPK1 | |
| SCHEMBL8846119 | 0.76 | LMNA (0.37) | TSHRMAPTCNR2HTTALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0641762-B1 | Process for preparation of 5-hydroxy-3-ketoester derivative and optically active substance thereof | UBE INDUSTRIES (JP) | 1997-05-28 | — | — | EP | disclosed |
| US-5457225-A | Process for preparation of 5-hydroxy-3-ketoester derivative and optically active substance thereof | UBE INDUSTRIES LTD. (JP) | 1995-10-10 | — | — | US | disclosed |
| EP-0641762-A1 | Process for preparation of 5-hydroxy-3-ketoester derivative and optically active substance thereof | UBE INDUSTRIES, LTD. (JP) | 1995-03-08 | — | — | EP | disclosed |