Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 2/20 | 0.52 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.52 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.52 |
| ▸ | LTA4H | P09960 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
| ▸ | PRKG1 | Q13976 | 1/20 | 0.36 |
| ▸ | PRCP | P42785 | 2/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9487953 | 0.80 | NPC1 (0.46) | ESR2ALDH1A1SMN1; SMN2IDO1TDO2 | |
| SCHEMBL7680971 | 0.78 | CYP3A4 (0.67) | CYP11B1CYP11B2CYP19A1CYP3A4CYP17A1 | |
| SCHEMBL1515255 | 0.76 | — | — | |
| SCHEMBL17100208 | 0.73 | IDO1 (0.45) | CYP3A4ESR2ALDH1A1ESR1CYP2C9 | |
| SCHEMBL10727264 | 0.72 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2CYP2C9KDM4E | |
| SCHEMBL9526399 | 0.72 | ADRA2A (0.40) | CYP11B1CYP11B2CYP19A1CYP3A4CYP17A1 | |
| SCHEMBL24214590 | 0.71 | ESR2 (0.47) | CYP3A4ESR2ALDH1A1ESR1CYP2C9 | |
| SCHEMBL2907043 | 0.71 | CYP19A1 (0.68) | CYP11B1CYP11B2CYP19A1CYP3A4CYP17A1 | |
| SCHEMBL8737044 | 0.71 | CYP19A1 (0.59) | CYP11B1CYP11B2CYP19A1CYP3A4CYP17A1 | |
| SCHEMBL11196968 | 0.71 | CYP19A1 (0.59) | CYP11B1CYP11B2CYP19A1CYP3A4CYP17A1 |
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-0231996-B1 | NOVEL AMINO ACID DERIVATIVES | NOVO NORDISK A/S (DK) | 1993-10-06 | — | — | EP | disclosed |
| EP-0231996-A2 | Novel amino acid derivatives | NOVO NORDISK A/S (DK) | 1987-08-12 | — | — | EP | disclosed |