Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSTP1 | P09211 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.38 |
| ▸ | ERN1 | O75460 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 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 | |
|---|---|---|---|---|
| SCHEMBL8926007 | 0.88 | GSTP1 (0.40) | GSTP1ALDH1A1CYP3A4TSHRCYP1A2 | |
| SCHEMBL8925292 | 0.78 | PPARG (0.39) | ALDH1A1CYP3A4TSHRCYP2C9TDP1 | |
| SCHEMBL839035 | 0.78 | CYP2A6 (0.56) | GSTP1ALDH1A1CYP3A4TSHRCYP1A2 | |
| SCHEMBL19474946 | 0.75 | MEN1 (0.42) | GSTP1TDP1CYP2A6ESR1ESR2 | |
| SCHEMBL5967211 | 0.75 | GPR84 (0.63) | CYP1A2SMN1; SMN2TDP1MAPK1CYP2A6 | |
| SCHEMBL14204635 | 0.74 | ALDH1A1 (0.70) | ALDH1A1CYP3A4TSHRCYP2C9SMN1; SMN2 | |
| SCHEMBL24664664 | 0.73 | ESR1 (0.53) | GSTP1ALDH1A1CYP3A4TSHRCYP1A2 | |
| SCHEMBL21201617 | 0.72 | CYP2A6 (0.58) | GSTP1ALDH1A1CYP3A4TSHRCYP1A2 | |
| SCHEMBL8992581 | 0.71 | PGK1 (0.56) | ALDH1A1CYP3A4TSHRCYP1A2CYP2C9 | |
| SCHEMBL25726553 | 0.70 | CYP2A6 (0.47) | GSTP1ALDH1A1CYP3A4TSHRCYP1A2 |
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-5668121-A | Glutamate (NMDA) receptor antagonists | WARNER-LAMBERT COMPANY (US) | 1997-09-16 | — | — | US | disclosed |