Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.56 |
| ▸ | CA2 | P00918 | 3/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | CA12 | O43570 | 2/20 | 0.50 |
| ▸ | CA4 | P22748 | 2/20 | 0.50 |
| ▸ | CA6 | P23280 | 2/20 | 0.50 |
| ▸ | CA7 | P43166 | 2/20 | 0.50 |
| ▸ | CA9 | Q16790 | 2/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.50 |
| ▸ | TPMT | P51580 | 1/20 | 0.50 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL8982982 | 0.84 | ALDH1A1 (0.48) | TP53TSHRSMN1; SMN2ALDH1A1SRD5A2 | |
| SCHEMBL16010557 | 0.81 | TSHR (0.48) | CA1CA2TP53TSHRSMN1; SMN2 | |
| Terephthalic Acid SCHEMBL11164993 | 0.80 | TSHR (0.75) | CA1CA2TP53TSHRSMN1; SMN2 | |
| SCHEMBL29910198 | 0.80 | NPC1 (0.41) | TP53SMN1; SMN2NPC1GAAMAPT | |
| SCHEMBL2913416 | 0.79 | ALDH1A1 (0.48) | CA1CA2TP53TSHRSMN1; SMN2 | |
| SCHEMBL3001175 | 0.78 | SMN1; SMN2 (0.64) | CA1CA2TP53TSHRSMN1; SMN2 | |
| Terephthalic Acid SCHEMBL28428612 | 0.76 | CA1 (0.60) | CA1CA2TP53TSHRSMN1; SMN2 | |
| SCHEMBL98312 | 0.76 | TSHR (0.60) | CA1CA2TP53TSHRSMN1; SMN2 | |
| SCHEMBL63466 | 0.76 | TSHR (0.70) | CA1CA2TP53TSHRSMN1; SMN2 | |
| Terephthalic Acid SCHEMBL4349174 | 0.76 | TSHR (0.70) | CA1CA2TP53TSHRSMN1; 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-8338401-B2 | Coumarin-amide derivatives and its preparation, said drug composition and its use | INSTITUTE OF MATERIA MEDICA CHINESE ACADEMY OF MEDICAL SCIENCES (CN) | 2012-12-25 | — | — | US | disclosed |