Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 4/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.40 |
| ▸ | METAP1 | P53582 | 4/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.37 |
| ▸ | MDM4 | O15151 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | TYR | P14679 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5952202 | 0.85 | ACHE (0.42) | ACHECYP19A1METAP1KDM4EALDH1A1 | |
| SCHEMBL14939220 | 0.81 | CYP19A1 (0.59) | ACHECYP19A1METAP1LMNAKDM4E | |
| SCHEMBL2345374 | 0.78 | ACHE (0.55) | ACHECYP19A1METAP1LMNAMAPT | |
| SCHEMBL30785363 | 0.78 | ACHE (0.55) | ACHECYP19A1METAP1LMNAMAPT | |
| SCHEMBL14939674 | 0.78 | HTR2A (0.47) | ACHECYP19A1LMNAMAPTHTT | |
| SCHEMBL9147933 | 0.77 | LMNA (0.64) | ACHECYP19A1LMNAMEN1KMT2A | |
| SCHEMBL14939508 | 0.77 | ACHE (0.45) | ACHECYP19A1METAP1LMNAALDH1A1 | |
| SCHEMBL30424198 | 0.76 | ACHE (0.46) | ACHECYP19A1METAP1LMNAKDM4E | |
| SCHEMBL30423664 | 0.75 | ACHE (0.49) | ACHECYP19A1METAP1DRD2MEN1 | |
| SCHEMBL19881881 | 0.74 | CYP19A1 (0.44) | ACHECYP19A1METAP1CREBBPDRD2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013068785-A1 | INDANONE AND INDANDIONE DERIVATIVES AND HETEROCYCLIC ANALOGS | ACTELION PHARMACEUTICALS LTD (CH) | 2013-05-16 | — | — | WO | disclosed |