Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 3/20 | 0.50 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | RARB | P10826 | 1/20 | 0.45 |
| ▸ | RARG | P13631 | 1/20 | 0.45 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | RXRA | P19793 | 3/20 | 0.42 |
| ▸ | RXRB | P28702 | 3/20 | 0.42 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.42 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.42 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7872646 | 0.89 | POLB (0.45) | KCNK3MAPTKMT2ANPC1RAB9A | |
| SCHEMBL7878854 | 0.79 | AKR1C3 (0.40) | MAPTKMT2ARAB9AMEN1ALDH1A1 | |
| 4-Methylbenzoic Acid SCHEMBL6057207 | 0.77 | SMN1; SMN2 (0.68) | CA1CA2SRD5A2MAPTKMT2A | |
| Toluene SCHEMBL28102772 | 0.76 | SRD5A2 (0.69) | NR1H4CA1CA2RARBRARG | |
| SCHEMBL11598724 | 0.76 | SRD5A2 (0.74) | NR1H4CA1CA2RARBRARG | |
| Ethane SCHEMBL4422870 | 0.72 | TSHR (0.50) | CA1CA2SRD5A2KMT2ANPC1 | |
| SCHEMBL1878165 | 0.72 | TSHR (0.55) | CA1CA2SRD5A2MAPTKMT2A | |
| SCHEMBL827333 | 0.72 | TSHR (0.50) | CA1CA2RARBRARGSRD5A2 | |
| Benzoic Acid SCHEMBL20995923 | 0.72 | RXRA (0.61) | KCNK3SRD5A2SMN1; SMN2RXRARXRB | |
| SCHEMBL8943333 | 0.71 | CYP3A4 (0.50) | MAPTKMT2ANPC1RAB9ASMN1; SMN2 |
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-6316623-B1 | USEFUL FOR SCREENING IN BIOLOGICAL ASSAYS IN ORDER TO IDENTIFY PHARMACEUTICALLY USEFUL COMPOUNDS | ISIS PHARMACEUTICALS, INC. | 2001-11-13 | — | — | US | disclosed |