Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 2/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7540168 | 0.84 | TSHR (0.46) | ALDH1A1TSHRNPSR1ATMCYP3A4 | |
| SCHEMBL7974044 | 0.82 | TSHR (0.59) | ALDH1A1TSHRNPSR1ATMCYP3A4 | |
| SCHEMBL29780668 | 0.82 | TSHR (0.59) | ALDH1A1TSHRNPSR1ATMCYP3A4 | |
| SCHEMBL30705746 | 0.76 | TRPA1 (0.59) | ALDH1A1TSHRCYP3A4TDP1TRPA1 | |
| SCHEMBL19678032 | 0.74 | ALDH1A1 (0.52) | ALDH1A1TSHRCYP3A4TDP1TRPA1 | |
| SCHEMBL1138241 | 0.74 | CYP1A2 (0.47) | ALDH1A1TSHRCYP3A4TDP1TRPA1 | |
| Benzyl Bromide SCHEMBL1043932 | 0.73 | TSHR (0.70) | ALDH1A1TSHRCYP3A4TDP1SMN1; SMN2 | |
| Bromide SCHEMBL160231 | 0.73 | ALDH1A1 (0.50) | ALDH1A1TSHRCYP3A4TDP1TRPA1 | |
| SCHEMBL4962307 | 0.72 | SIGMAR1 (0.45) | ALDH1A1TSHRCYP3A4TDP1NPC1 | |
| SCHEMBL7947551 | 0.72 | RXRA (0.46) | ALDH1A1TSHRTRPA1 |
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-5807974-A | POLYARYLENEVINYLENE RESIN | KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) | 1998-09-15 | — | — | US | disclosed |