Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 10/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | IDH1 | O75874 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 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 | |
|---|---|---|---|---|
| SCHEMBL8662290 | 0.72 | CYP19A1 (0.57) | CYP19A1HSP90AA1POLB | |
| SCHEMBL28524080 | 0.63 | KCNH2 (0.53) | IDO1L3MBTL1KDM4EALDH1A1MAPT | |
| SCHEMBL28524081 | 0.63 | IDO1 (0.46) | IDO1L3MBTL1KDM4EMAPTMEN1 | |
| SCHEMBL11262304 | 0.63 | POLB (0.42) | CYP19A1ALDH1A1HSD17B10MAPTNPSR1 | |
| SCHEMBL11198284 | 0.62 | POLB (0.44) | CYP19A1ALDH1A1MAPTNPSR1HSP90AA1 | |
| SCHEMBL8411455 | 0.61 | HTR1D (0.57) | CYP19A1 | |
| SCHEMBL5544140 | 0.61 | TSHR (0.58) | CYP19A1ALDH1A1HSP90AA1MEN1KMT2A | |
| SCHEMBL7783933 | 0.61 | TSHR (0.58) | CYP19A1ALDH1A1HSP90AA1MEN1KMT2A | |
| SCHEMBL11179656 | 0.61 | POLB (0.40) | CYP19A1KDM4EALDH1A1NPSR1IDH1 | |
| SCHEMBL11185825 | 0.61 | POLB (0.45) | CYP19A1ALDH1A1HSD17B10MAPTIDH1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5807857-A | Piperazine, piperidine and tetrahydropyridine derivative of indol-3-alkyl as 5-HT1D-α agonists | MERCK SHARP & DOHME LTD. (GB) | 1998-09-15 | — | — | US | disclosed |