Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 3/20 | 0.54 |
| ▸ | CYP11B1 | P15538 | 5/20 | 0.49 |
| ▸ | CYP11B2 | P19099 | 5/20 | 0.49 |
| ▸ | OXER1 | Q8TDS5 | 2/20 | 0.47 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.43 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 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 | |
|---|---|---|---|---|
| SCHEMBL9001732 | 0.87 | NOTUM (0.54) | NOTUMCYP11B1CYP11B2OXER1KDM4E | |
| SCHEMBL10716531 | 0.84 | NOTUM (0.51) | NOTUMCYP11B1CYP11B2OXER1S1PR1 | |
| SCHEMBL12043978 | 0.79 | PIK3CD (0.44) | OXER1S1PR1AKR1C3AKR1C2 | |
| SCHEMBL10837082 | 0.77 | NOTUM (0.59) | NOTUMCYP11B1CYP11B2KDM4EALDH1A1 | |
| SCHEMBL853076 | 0.76 | NOTUM (0.58) | NOTUMCYP11B1CYP11B2OXER1KDM4E | |
| SCHEMBL31607288 | 0.76 | NOTUM (0.58) | NOTUMCYP11B1CYP11B2KDM4EALDH1A1 | |
| SCHEMBL795182 | 0.76 | NOTUM (0.58) | NOTUMCYP11B1CYP11B2OXER1KDM4E | |
| SCHEMBL12749675 | 0.76 | NOTUM (0.58) | NOTUMCYP11B1CYP11B2KDM4EALDH1A1 | |
| SCHEMBL29445622 | 0.75 | TFPI2 (0.42) | CYP11B1CYP11B2OXER1S1PR1HSD17B10 | |
| SCHEMBL5066779 | 0.75 | NOTUM (0.56) | NOTUMCYP11B1CYP11B2KDM4EALDH1A1 |
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-2012037411-A9 | ESTROGEN RECEPTOR MODULATORS AND USES THEREOF | ARAGON PHARMACEUTICALS, INC. (US) | 2012-05-18 | — | — | WO | disclosed |
| WO-2012037411-A2 | ESTROGEN RECEPTOR MODULATORS AND USES THEREOF | ARAGON PHARMACEUTICALS, INC. (US) | 2012-03-22 | — | — | WO | disclosed |