Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.66 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.66 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.66 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.66 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.66 |
| ▸ | MAPT | P10636 | 3/20 | 0.64 |
| ▸ | CA12 | O43570 | 1/20 | 0.63 |
| ▸ | CA1 | P00915 | 1/20 | 0.63 |
| ▸ | CA2 | P00918 | 1/20 | 0.63 |
| ▸ | CA4 | P22748 | 1/20 | 0.63 |
| ▸ | CA6 | P23280 | 1/20 | 0.63 |
| ▸ | CA7 | P43166 | 1/20 | 0.63 |
| ▸ | TPMT | P51580 | 1/20 | 0.63 |
| ▸ | CA9 | Q16790 | 1/20 | 0.63 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | GAA | P10253 | 2/20 | 0.56 |
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL7637092 | 0.85 | TSHR (0.61) | TSHRCYP2C9CYP2C19CYP1A2CYP3A4 | |
| Veratric Acid Methyl Ester SCHEMBL29573244 | 0.84 | MAPT (0.86) | TSHRCYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL8778631 | 0.84 | TSHR (0.70) | TSHRCYP2C9CYP2C19CYP1A2CYP3A4 | |
| Veratric Acid Methyl Ester SCHEMBL2050732 | 0.84 | MAPT (0.86) | TSHRCYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL3193863 | 0.84 | TSHR (0.70) | TSHRCYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL28103860 | 0.81 | TSHR (0.66) | TSHRCYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL12538400 | 0.81 | TSHR (0.66) | TSHRCYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL27761407 | 0.81 | TSHR (0.66) | TSHRCYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL7952953 | 0.80 | MAPT (0.69) | TSHRCYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL30046045 | 0.80 | TSHR (0.59) | TSHRCYP2C9CYP2C19CYP1A2CYP3A4 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6245779-B1 | ANALGESICS; ANTIINFLAMMATORY AGENTS | OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) | 2001-06-12 | — | — | US | disclosed |
| EP-0997463-A1 | NAPHTHYRIDINE DERIVATIVES | OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) | 2000-05-03 | — | — | EP | disclosed |
| EP-0176032-B1 | TETRALIN DERIVATIVES, THEIR PREPARATION AND USE | BASF Aktiengesellschaft (DE) | 1990-03-07 | — | — | EP | disclosed |
| EP-0148883-B1 | ALLOPURINOL PRODRUGS | A/S GEA Farmaceutisk Fabrik (DK) | 1990-02-14 | — | — | EP | disclosed |
| US-4760174-A | Tetralin derivatives, their preparation and their use | BASF AKTIENGESELLSCHAFT (DE) | 1988-07-26 | — | — | US | disclosed |
| US-4694006-A | Acyl- or acyloxymethyl-allopurinol prodrugs | A/S GEA (DK) | 1987-09-15 | — | — | US | disclosed |
| EP-0176032-A2 | Tetralin derivatives, their preparation and use | BASF Aktiengesellschaft (DE) | 1986-04-02 | — | — | EP | disclosed |
| EP-0148883-A1 | ALLOPURINOL PRODRUGS. | GEA AS (DK) | 1985-07-24 | — | — | EP | disclosed |
| WO-1985000368-A1 | ALLOPURINOL PRODRUGS | A/S GEA (DK) | 1985-01-31 | — | — | WO | disclosed |