Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 11/20 | 0.76 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.76 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.76 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.71 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.71 |
| ▸ | RAB9A | P51151 | 4/20 | 0.70 |
| ▸ | NPC1 | O15118 | 3/20 | 0.70 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.64 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.62 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.61 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL29771395 | 0.87 | ABL1 (1.00) | ABL1OPRM1KCNH2 | |
| SCHEMBL16714111 | 0.87 | ABL1 (1.00) | ABL1OPRM1KCNH2 | |
| SCHEMBL12978270 | 0.86 | RAB9A (0.74) | ABL1OPRM1KCNH2KMT2ARAB9A | |
| SCHEMBL6174665 | 0.86 | KMT2A (0.73) | ABL1OPRM1KCNH2KMT2ARAB9A | |
| SCHEMBL12310174 | 0.84 | KMT2A (0.76) | CYP3A4KMT2ARAB9ANPC1ROCK2 | |
| SCHEMBL6657635 | 0.83 | TRPV1 (0.76) | ABL1OPRM1KCNH2KMT2ARAB9A | |
| SCHEMBL2562031 | 0.83 | TRPV1 (0.75) | ABL1KMT2ARAB9ANPC1SMN1; SMN2 | |
| SCHEMBL22926425 | 0.82 | RAB9A (1.00) | ABL1OPRM1KCNH2CYP3A4KMT2A | |
| SCHEMBL11195433 | 0.82 | KMT2A (0.80) | CYP3A4KMT2ARAB9ANPC1ROCK2 | |
| SCHEMBL5665029 | 0.82 | EPHX2 (0.76) | CYP3A4KMT2ARAB9ANPC1L3MBTL1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2455368-B1 | 2-[[[2-[(HYDROXYACETYL)AMINO]-4-PYRIDINYL]METHYL]THIO]-N-[4-(TRIFLUOROMETHOXY)PHENYL]-3-PYRIDINECARBOXAMIDE BENZENE- SULFONATE, CRYSTALS OF SAME, POLYMORPHS THEREOF, AND PROCESSES FOR PRODUCTION THEREOF | SANTEN PHARMACEUTICAL CO LTD (JP) | 2015-09-16 | — | — | EP | claimed |
| EP-2455368-A1 | 2-[[[2-[(HYDROXYACETYL)AMINO]-4-PYRIDINYL]METHYL]THIO]-N-[4-(TRIFLUOROMETHOXY)PHENYL]-3-PYRIDINECARBOXAMIDE BENZENE- SULFONATE, CRYSTALS OF SAME, POLYMORPHS THEREOF, AND PROCESSES FOR PRODUCTION THEREOF | Santen Pharmaceutical Co., Ltd (JP) | 2012-05-23 | — | — | EP | claimed |
| CN-104334529-B | Compounds and compositions for inhibiting the activity of ABL1, ABL2, and BCR-ABL1 | 诺华股份有限公司 | 2017-03-15 | — | — | CN | disclosed |
| EP-2455368-B1 | 2-[[[2-[(HYDROXYACETYL)AMINO]-4-PYRIDINYL]METHYL]THIO]-N-[4-(TRIFLUOROMETHOXY)PHENYL]-3-PYRIDINECARBOXAMIDE BENZENE- SULFONATE, CRYSTALS OF SAME, POLYMORPHS THEREOF, AND PROCESSES FOR PRODUCTION THEREOF | SANTEN PHARMACEUTICAL CO LTD (JP) | 2015-09-16 | — | — | EP | disclosed |
| EP-2858988-A1 | BENZAMIDE DERIVATIVES FOR INHIBITING THE ACTIVITY OF ABL1, ABL2 AND BCR-ABL1 | Novartis AG (CH) | 2015-04-15 | — | — | EP | disclosed |
| WO-2013171640-A1 | BENZAMIDE DERIVATIVES FOR INHIBITING THE ACTIVITY OF ABL1, ABL2 AND BCR-ABL1 | NOVARTIS AG (CH) | 2013-11-21 | — | — | WO | disclosed |
| EP-2455368-A1 | 2-[[[2-[(HYDROXYACETYL)AMINO]-4-PYRIDINYL]METHYL]THIO]-N-[4-(TRIFLUOROMETHOXY)PHENYL]-3-PYRIDINECARBOXAMIDE BENZENE- SULFONATE, CRYSTALS OF SAME, POLYMORPHS THEREOF, AND PROCESSES FOR PRODUCTION THEREOF | Santen Pharmaceutical Co., Ltd (JP) | 2012-05-23 | — | — | EP | disclosed |