Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 6/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.50 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.50 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.45 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | PGR | P06401 | 1/20 | 0.45 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.45 |
| ▸ | AR | P10275 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL15714987 | 0.80 | TRPA1 (0.50) | CYP2C9ALOX15LMNACYP2D6ADRA1A | |
| SCHEMBL17086739 | 0.80 | TRPA1 (0.50) | CYP2C9ALOX15LMNACYP2D6ADRA1A | |
| SCHEMBL17086740 | 0.80 | TRPA1 (0.50) | CYP2C9ALOX15LMNACYP2D6ADRA1A | |
| SCHEMBL17086745 | 0.80 | TRPA1 (0.50) | CYP2C9ALOX15LMNACYP2D6ADRA1A | |
| SCHEMBL15630873 | 0.80 | TRPA1 (0.50) | CYP2C9ALOX15LMNACYP2D6ADRA1A | |
| SCHEMBL14649673 | 0.80 | ESR1 (0.52) | ESR1ESR2PDCD1CD274TDP1 | |
| SCHEMBL13962935 | 0.80 | TRPA1 (0.50) | CYP2C9ALOX15LMNACYP2D6ADRA1A | |
| SCHEMBL4247422 | 0.78 | ESR1 (0.68) | ESR1ESR2PDCD1CD274TDP1 | |
| SCHEMBL11949347 | 0.78 | ESR1 (0.68) | ESR1ESR2PDCD1CD274TDP1 | |
| SCHEMBL30753092 | 0.78 | ESR1 (0.68) | ESR1ESR2PDCD1CD274TDP1 |
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-0648212-A1 | HETEROCYCLIC COMPOUNDS AS PHARMACEUTICAL | SMITHKLINE BEECHAM PLC (GB) | 1995-04-19 | — | — | EP | disclosed |
| WO-1994001420-A1 | HETEROCYCLIC COMPOUNDS AS PHARMACEUTICAL | SMITHKLINE BEECHAM PLC (GB) | 1994-01-20 | — | — | WO | disclosed |