Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | THRA | P10827 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | PPARG | P37231 | 3/20 | 0.41 |
| ▸ | ESR1 | P03372 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | P2RY10 | O00398 | 1/20 | 0.38 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL555957 | 0.83 | MTNR1A (0.38) | PPARGCYP2D6 | |
| SCHEMBL533960 | 0.79 | CYP2D6 (0.42) | ALDH1A1PPARGCYP2D6 | |
| SCHEMBL534207 | 0.78 | SLC6A4 (0.40) | ALDH1A1CNR2CYP2D6MEN1KMT2A | |
| SCHEMBL9035569 | 0.77 | CYP4F2 (0.49) | ALDH1A1TDP1CYP2D6 | |
| SCHEMBL2133616 | 0.76 | BRD4 (0.55) | — | |
| SCHEMBL533933 | 0.75 | PPARG (0.59) | PPARG | |
| SCHEMBL13652565 | 0.75 | CA12 (0.47) | ALDH1A1THRATHRBCYP2D6MEN1 | |
| SCHEMBL3210374 | 0.75 | POLB (0.50) | CNR2 | |
| SCHEMBL8257155 | 0.74 | SLC6A4 (0.40) | CYP2D6MEN1KMT2A | |
| SCHEMBL925088 | 0.73 | KDM4E (0.38) | CNR2CYP2D6 |
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-2413941-A1 | RENIN INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2012-02-08 | — | — | EP | disclosed |
| WO-2010114978-A1 | RENIN INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2010-10-07 | — | — | WO | disclosed |