Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 1/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.46 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.46 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | CDC25A | P30304 | 1/20 | 0.39 |
| ▸ | CDC25B | P30305 | 1/20 | 0.39 |
| ▸ | SETD7 | Q8WTS6 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 6/20 | 0.37 |
| ▸ | LMNA | P02545 | 4/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | PKM | P14618 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7554989 | 0.74 | CES1 (0.50) | CYP17A1CYP19A1CYP11B1CYP11B2CES1 | |
| SCHEMBL3829223 | 0.72 | CES1 (0.48) | CYP19A1CYP11B1CYP11B2CES1CDC25A | |
| SCHEMBL6526952 | 0.72 | ALDH1A1 (0.51) | CES1ALDH1A1HPGDL3MBTL1KDM4E | |
| SCHEMBL7986644 | 0.71 | CES1 (0.46) | CYP17A1CYP19A1CYP11B1CYP11B2CES1 | |
| SCHEMBL20040536 | 0.71 | SETD7 (0.39) | CES1SETD7ALDH1A1L3MBTL1KDM4E | |
| Dihydrophenanthrene SCHEMBL155991 | 0.69 | CES1 (0.68) | CYP19A1CYP11B1CYP11B2CES1SETD7 | |
| Dihydrophenanthrene SCHEMBL29404495 | 0.69 | CES1 (0.68) | CYP19A1CYP11B1CYP11B2CES1SETD7 | |
| Dihydrophenanthrene SCHEMBL30297028 | 0.69 | CES1 (0.68) | CYP19A1CYP11B1CYP11B2CES1SETD7 | |
| SCHEMBL10932406 | 0.69 | ALDH1A1 (0.52) | CES1ALDH1A1HPGDL3MBTL1KDM4E | |
| SCHEMBL2185230 | 0.69 | CES1 (0.54) | CYP17A1CYP19A1CYP11B1CYP11B2CES1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1995002567-A1 | CATALYTIC ASYMMETRIC REDUCTION OF TRISUBSTITUTED OLEFINS AND ENAMINES | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 1995-01-26 | — | — | WO | disclosed |
| EP-0106486-A2 | Improvements in or relating to novel octahydrobenz(f)isoquinolines | ELI LILLY AND COMPANY (US) | 1984-04-25 | — | — | EP | disclosed |