Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 1/20 | 0.50 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.44 |
| ▸ | NCEH1 | Q6PIU2 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | WDR5 | P61964 | 4/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | GALR3 | O60755 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | SIRT2 | Q8IXJ6 | 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 | |
|---|---|---|---|---|
| SCHEMBL23640511 | 0.82 | ERN1 (0.54) | ERN1NCEH1MAPTKDM4EALDH1A1 | |
| SCHEMBL4030896 | 0.81 | RXFP1 (0.53) | RXFP1NCEH1MAPTKDM4EALDH1A1 | |
| SCHEMBL4028463 | 0.80 | ERN1 (0.56) | ERN1RXFP1NCEH1MAPTKDM4E | |
| SCHEMBL11120086 | 0.77 | NAAA (0.51) | NCEH1KDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL10822239 | 0.77 | PLK1 (0.56) | ERN1KDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL3008538 | 0.76 | HSD17B1 (0.57) | CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL29322563 | 0.75 | ERN1 (0.47) | ERN1RXFP1NCEH1MAPTKDM4E | |
| SCHEMBL4025646 | 0.74 | NCEH1 (0.44) | RXFP1NCEH1MAPTKDM4EALDH1A1 | |
| SCHEMBL24148132 | 0.73 | HPGD (0.62) | MAPTKDM4EALDH1A1WDR5MEN1 | |
| SCHEMBL313250 | 0.71 | PLAU (0.62) | NCEH1MEN1KMT2ASIRT1HPGD |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1222174-B1 | IMIDAZOL-4-YLMETHANOLS USED AS INHIBITORS OF STEROID C17-20 LYASE | TAKEDA PHARMACEUTICAL (JP) | 2009-05-27 | — | — | EP | disclosed |
| US-6649643-B1 | Antitumor, anticarcinogenic, and antimetastasis agents; benign prostatic hyperplasia, alopecia, endometriosis, uterine myoma, hirsutism, virilism, precocious puberty, mastopathy, and polycystic overay syndrome treatment | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2003-11-18 | — | — | US | disclosed |
| EP-1222174-A1 | IMIDAZOL-4-YLMETHANOLS USED AS INHIBITORS OF STEROID C17-20 LYASE | Takeda Chemical Industries, Ltd. (JP) | 2002-07-17 | — | — | EP | disclosed |
| WO-2001030762-A1 | IMIDAZOL-4-YLMETHANOLS USE AS INHIBITORS OF STEROID C17-20 LYASE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-05-03 | — | — | WO | disclosed |