Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | SRD5A2 | P31213 | 3/20 | 0.44 |
| ▸ | CA1 | P00915 | 4/20 | 0.44 |
| ▸ | CA2 | P00918 | 4/20 | 0.44 |
| ▸ | CA12 | O43570 | 3/20 | 0.44 |
| ▸ | CA9 | Q16790 | 3/20 | 0.44 |
| ▸ | CA3 | P07451 | 2/20 | 0.43 |
| ▸ | CA6 | P23280 | 2/20 | 0.43 |
| ▸ | CA5A | P35218 | 2/20 | 0.43 |
| ▸ | CA7 | P43166 | 2/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.43 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | TYR | P14679 | 1/20 | 0.43 |
| ▸ | DRD1 | P21728 | 1/20 | 0.43 |
| ▸ | CA4 | P22748 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL725811 | 0.87 | MAPT (0.32) | TSHRPOLBALDH1A1CYP2C19 | |
| SCHEMBL4645773 | 0.82 | NOS3 (0.47) | MEN1NPC1POLBKMT2AALDH1A1 | |
| SCHEMBL1681249 | 0.80 | NPSR1 (0.46) | TSHRCA1CA2CA12CA9 | |
| SCHEMBL11517667 | 0.79 | TSHR (0.50) | TSHRTP53SRD5A2CA1CA2 | |
| SCHEMBL3606664 | 0.78 | CA2 (0.40) | CA1CA2CA12CA9CA3 | |
| SCHEMBL3615251 | 0.78 | ALDH1A1 (0.41) | TSHRTP53CA3CA6CA14 | |
| SCHEMBL11517914 | 0.78 | TSHR (0.48) | TSHRTP53SRD5A2CA1CA2 | |
| Ammonia Solution, Strong SCHEMBL11521160 | 0.78 | TSHR (0.48) | TSHRTP53SRD5A2CA1CA2 | |
| SCHEMBL320721 | 0.77 | KCNN4 (0.42) | CA1CA2ALDH1A1CES2CES1 | |
| SCHEMBL4920991 | 0.77 | ALOX5 (0.43) | CA1CA2MEN1KMT2AALDH1A1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1126833-A4 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES INC (US) | 2004-09-08 | — | — | EP | disclosed |
| EP-1126833-A2 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES, INC. (US) | 2001-08-29 | — | — | EP | disclosed |
| EP-1091958-A1 | SALTS OF PAROXETINE | SMITHKLINE BEECHAM PLC (GB) | 2001-04-18 | — | — | EP | disclosed |
| WO-2000025768-A1 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES, INC. (US) | 2000-05-11 | — | — | WO | disclosed |
| WO-2000001692-A1 | SALTS OF PAROXETINE | SMITHKLINE BEECHAM PLC (GB) | 2000-01-13 | — | — | WO | disclosed |
| WO-1999064418-A1 | ARYL PYRIDINYL THIAZOLES | NOVARTIS AG (CH) | 1999-12-16 | — | — | WO | disclosed |