Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 6/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CYP3A5 | P20815 | 4/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.33 |
| ▸ | RELA | Q04206 | 1/20 | 0.33 |
| ▸ | F2 | P00734 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9730611 | 0.89 | CYP19A1 (0.43) | CYP19A1CYP3A4LMNACYP1A2CYP11B1 | |
| SCHEMBL9729153 | 0.78 | IDO1 (0.39) | CYP19A1POLBALDH1A1 | |
| SCHEMBL9729521 | 0.76 | CYP3A4 (0.55) | CYP19A1CYP3A4LMNACYP1A2CYP11B1 | |
| SCHEMBL9729497 | 0.67 | RAB9A (0.42) | LMNAPOLBRAB9ANPC1ALDH1A1 | |
| SCHEMBL9729554 | 0.66 | IDO1 (0.42) | LMNAPOLBRAB9ANPC1ALDH1A1 | |
| SCHEMBL9730033 | 0.66 | CYP11B2 (0.41) | CYP19A1CYP3A4CYP11B2CYP3A5RAB9A | |
| SCHEMBL9877145 | 0.64 | LMNA (0.57) | CYP19A1CYP3A4LMNACYP1A2CYP11B1 | |
| SCHEMBL9877266 | 0.64 | CYP19A1 (0.50) | CYP19A1CYP3A4LMNACYP1A2CYP11B1 | |
| SCHEMBL9729720 | 0.62 | P2RX7 (0.34) | LMNAPOLBRAB9ANPC1ALDH1A1 | |
| SCHEMBL11629628 | 0.60 | CYP19A1 (0.47) | CYP19A1CYP3A4LMNACYP1A2CYP11B1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0445069-A1 | Heterocyclic compounds | CIBA-GEIGY AG (CH) | 1991-09-04 | — | — | EP | claimed |
| EP-0445069-A1 | Heterocyclic compounds | CIBA-GEIGY AG (CH) | 1991-09-04 | — | — | EP | disclosed |