Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.41 |
| ▸ | IDO1 | P14902 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | AGXT | P21549 | 2/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.36 |
| ▸ | THRA | P10827 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL295944 | 0.81 | ESR1 (0.44) | ESR1IDO1HPGDMEN1KMT2A | |
| SCHEMBL808961 | 0.81 | MEN1 (0.45) | ESR1IDO1HPGDMEN1KMT2A | |
| SCHEMBL28210190 | 0.80 | HPGD (0.41) | ESR1IDO1HPGDKMT2ATAAR1 | |
| SCHEMBL27625114 | 0.79 | SLC6A2 (0.54) | ALDH1A1CYP1A2TAAR1TSHRSMN1; SMN2 | |
| SCHEMBL25393873 | 0.78 | THRA (0.42) | ESR1IDO1HPGDMEN1KMT2A | |
| SCHEMBL27541453 | 0.78 | CA2 (0.46) | ESR1ALDH1A1ESR2TSHRTDP1 | |
| SCHEMBL11871937 | 0.78 | CYP1A2 (0.45) | IDO1HPGDMEN1KMT2AALDH1A1 | |
| SCHEMBL29281447 | 0.77 | ESR1 (0.41) | ESR1IDO1HPGDMEN1KMT2A | |
| SCHEMBL29281407 | 0.77 | ESR1 (0.41) | ESR1IDO1HPGDMEN1KMT2A | |
| SCHEMBL27823985 | 0.77 | SLC6A2 (0.43) | ESR1IDO1HPGDMEN1KMT2A |
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-3932487-A | HYPOTENSIVE | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) | 1976-01-13 | — | — | US | disclosed |