Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.57 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.57 |
| ▸ | CYP19A1 | P11511 | 6/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.50 |
| ▸ | RELA | Q04206 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | KLK7 | P49862 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9729521 | 0.87 | CYP3A4 (0.55) | LMNACYP11B2CYP1A2CYP3A4CYP11B1 | |
| SCHEMBL9877266 | 0.84 | CYP19A1 (0.50) | LMNACYP11B2CYP1A2CYP3A4CYP11B1 | |
| SCHEMBL12532565 | 0.76 | SMN1; SMN2 (0.59) | CYP3A4TDP1RAB9AALDH1A1KMT2A | |
| SCHEMBL9730611 | 0.75 | CYP19A1 (0.43) | LMNACYP11B2CYP1A2CYP3A4CYP11B1 | |
| SCHEMBL10510419 | 0.73 | CYP19A1 (0.62) | CYP3A4CYP19A1 | |
| Metyrapone SCHEMBL29917903 | 0.73 | TDP1 (1.00) | LMNACYP11B2CYP1A2CYP3A4CYP11B1 | |
| Metyrapone SCHEMBL637432 | 0.73 | TDP1 (1.00) | LMNACYP11B2CYP1A2CYP3A4CYP11B1 | |
| Metyrapone SCHEMBL29462551 | 0.73 | TDP1 (1.00) | LMNACYP11B2CYP1A2CYP3A4CYP11B1 | |
| SCHEMBL9877295 | 0.73 | LMNA (0.57) | LMNACYP11B2CYP1A2CYP3A4CYP11B1 | |
| Metyrapone SCHEMBL5484012 | 0.72 | TDP1 (0.97) | LMNACYP11B2CYP1A2CYP3A4CYP11B1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5036074-A | In agriculture and horticulture | CIBA-GEIGY CORPORATION (US) | 1991-07-30 | — | — | US | disclosed |
| EP-0385267-A2 | Pyridine derivatives, their preparation and their use as fungicides | CIBA-GEIGY AG (CH) | 1990-09-05 | — | — | EP | disclosed |