Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.57 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.57 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.46 |
| ▸ | NPC1 | O15118 | 5/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | RAB9A | P51151 | 4/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | HPSE | Q9Y251 | 4/20 | 0.42 |
| ▸ | BACE1 | P56817 | 2/20 | 0.41 |
| ▸ | BACE2 | Q9Y5Z0 | 2/20 | 0.41 |
| ▸ | COMT | P21964 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | AMY1A | P0DUB6 | 2/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL16148286 | 0.84 | NPC1 (0.60) | KDM4ENPC1SMN1; SMN2ALDH1A1RAB9A | |
| SCHEMBL16147474 | 0.79 | ALDH1A1 (0.54) | KDM4ENPC1SMN1; SMN2ALDH1A1RAB9A | |
| SCHEMBL21174653 | 0.78 | KDM4E (0.55) | CYP19A1CYP11B1CYP11B2KDM4ENPC1 | |
| SCHEMBL16158580 | 0.77 | CYP19A1 (0.56) | CYP19A1CYP11B1CYP11B2SMN1; SMN2ALDH1A1 | |
| SCHEMBL16148101 | 0.76 | NPC1 (0.51) | KDM4ENPC1SMN1; SMN2ALDH1A1RAB9A | |
| SCHEMBL16147181 | 0.76 | NPC1 (0.70) | CYP11B1CYP11B2KDM4ENPC1SMN1; SMN2 | |
| SCHEMBL16148300 | 0.76 | NPC1 (0.48) | KDM4ENPC1SMN1; SMN2ALDH1A1RAB9A | |
| SCHEMBL21174655 | 0.76 | MMP2 (0.58) | KDM4ENPC1SMN1; SMN2ALDH1A1KMT2A | |
| SCHEMBL16147757 | 0.75 | KDM4E (0.55) | KDM4ENPC1SMN1; SMN2ALDH1A1RAB9A | |
| SCHEMBL4508354 | 0.75 | CYP11B1 (1.00) | CYP19A1CYP11B1CYP11B2KDM4ESMN1; SMN2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3514147-A1 | STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY | University of Maryland, Baltimore (US) | 2019-07-24 | — | — | EP | disclosed |