Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.49 |
| ▸ | LTA4H | P09960 | 1/20 | 0.48 |
| ▸ | CYP11B1 | P15538 | 9/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 9/20 | 0.43 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.40 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.39 |
| ▸ | UBA2 | Q9UBT2 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL28752735 | 0.77 | EPHX2 (0.50) | HRH3LTA4HHPGD | |
| SCHEMBL9710124 | 0.77 | CYP3A4 (0.48) | HRH3LTA4HCYP11B1CYP11B2LOXL2 | |
| SCHEMBL765420 | 0.77 | SLC6A3 (0.51) | LTA4HLOXL2KDM4EALDH1A1HPGD | |
| SCHEMBL9389496 | 0.76 | SLC6A3 (0.49) | LTA4H | |
| SCHEMBL24768074 | 0.72 | SLC6A3 (0.55) | LTA4HKDM4EALDH1A1CYP2D6HPGD | |
| SCHEMBL1344068 | 0.72 | LOXL2 (0.65) | HRH3LOXL2CYP2A6CYP19A1SAE1 | |
| SCHEMBL28677901 | 0.71 | LOXL2 (0.46) | HRH3LTA4HLOXL2CYP2A6SAE1 | |
| SCHEMBL18892957 | 0.71 | MYC (0.50) | CYP11B2LOXL2CYP2A6CYP19A1ALDH1A1 | |
| SCHEMBL4009961 | 0.70 | EPHX2 (0.64) | HRH3CYP11B1CYP11B2LOXL2CYP2A6 | |
| SCHEMBL9267704 | 0.70 | HRH3 (0.43) | HRH3CYP11B1CYP11B2LOXL2CYP2A6 |
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 |
|---|---|---|---|---|---|---|---|
| US-5378721-A | AROMATASE INHIBITORS | CIBA-GEIGY CORPORATION (US) | 1995-01-03 | — | — | US | disclosed |
| US-5246952-A | Antitumor agents | CIBA-GEIGY CORPORATION (US) | 1993-09-21 | — | — | US | disclosed |
| EP-0477141-A1 | Heteroarylmethylbenzols aromatase inhibitors | CIBA-GEIGY AG (CH) | 1992-03-25 | — | — | EP | disclosed |