Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDO2 | P48775 | 1/20 | 0.38 |
| ▸ | DHFR | P00374 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | NUDT1 | P36639 | 3/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.34 |
| ▸ | RELA | Q04206 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9649086 | 0.84 | TSHR (0.31) | TSHR | |
| SCHEMBL9648712 | 0.82 | TDO2 (0.40) | TDO2DHFRALOX5TAAR1NUDT1 | |
| SCHEMBL9284243 | 0.79 | TDO2 (0.38) | TDO2DHFRALOX5TAAR1NUDT1 | |
| SCHEMBL7873514 | 0.79 | ESR2 (0.45) | TDO2DHFRALOX5TAAR1GAA | |
| SCHEMBL16719911 | 0.79 | ALOX5 (0.49) | TDO2DHFRALOX5TAAR1ESR2 | |
| SCHEMBL17262619 | 0.79 | PDK2 (0.36) | TDO2ALOX5TAAR1MEN1GAA | |
| SCHEMBL27707558 | 0.79 | TDO2 (0.40) | TDO2DHFRALOX5TAAR1NUDT1 | |
| SCHEMBL8506861 | 0.78 | AHR (0.35) | TDO2 | |
| SCHEMBL5678471 | 0.77 | ALDH1A1 (0.54) | ALOX5RAB9ATP53NFKB1NFKB2 | |
| SCHEMBL6841249 | 0.77 | AHR (0.47) | DHFRADORA1MEN1GAAKMT2A |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1900087-A | Novel heteroaromatic inhibitors of fructose 1,6-bisphosphatase | METABASIS THERAPEUTICS INC (US) | 2007-01-24 | — | — | CN | claimed |
| EP-0835242-A1 | THIOAMIDES S-OXIDES FOR USE AS PESTICIDES | Novartis AG (CH) | 1998-04-15 | — | — | EP | claimed |
| WO-1997000859-A1 | THIOAMIDES S-OXIDES FOR USE AS PESTICIDES | NOVARTIS AG (CH) | 1997-01-09 | — | — | WO | claimed |
| CN-116283931-A | (Z) -azacycloalkenyl chlorine compound and preparation method and application thereof | 合肥工业大学 | 2023-06-23 | — | — | CN | disclosed |
| CN-101711247-A | 2-cyclopropyl-thiazole derivatives | ACTELION PHARMACEUTICALS LTD | 2010-05-19 | — | — | CN | disclosed |
| CN-100494208-C | Novel phosphorus-containing prodrug | METABASIS THERAPEUTICS INC (US) | 2009-06-03 | — | — | CN | disclosed |
| CN-101037450-A | Novel phosphorus-containing prodrug | METABASIS THERAPEUTICS INC (US) | 2007-09-19 | — | — | CN | disclosed |
| CN-1321999-C | Novel phosphorus-containing prodrugs | METABASIS THERAPEUTICS INC (US) | 2007-06-20 | — | — | CN | disclosed |
| CN-1733779-A | Novel phosphorus-containing prodrug | METABASIS THERAPEUTICS INC (US) | 2006-02-15 | — | — | CN | disclosed |
| CN-1353719-A | Novel phosphorus-containing prodrugs | METABASIS THERAPEUTICS INC (US) | 2002-06-12 | — | — | CN | disclosed |
| WO-1988004658-A1 | 10-(SUBSTITUTED PHENYL)-3-ALKYLFLAVIN DERIVATIVES HAVING ANTIPROTOZOAL, ANTIPROLIFERATIVE AND ANTIINFLAMMATORY ACTIVITY | THE AUSTRALIAN NATIONAL UNIVERSITY (AU) | 1988-06-30 | — | — | WO | disclosed |