Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.55 |
| ▸ | MIF | P14174 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 5/20 | 0.47 |
| ▸ | RAB9A | P51151 | 5/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 4/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1544004 | 0.82 | TSHR (0.50) | KDM4ENPC1RAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL17298083 | 0.76 | APLNR (0.61) | KDM4EALDH1A1MAPTTSHRL3MBTL1 | |
| SCHEMBL12596380 | 0.76 | KDM4E (0.65) | KDM4EMIFNPC1RAB9AALDH1A1 | |
| SCHEMBL1234818 | 0.73 | KDM4E (0.61) | KDM4EMIFNPC1RAB9AALDH1A1 | |
| SCHEMBL919281 | 0.73 | HSD11B1 (0.49) | PTGS2ALDH1A1TSHRKMT2A | |
| SCHEMBL1544452 | 0.72 | ALDH1A1 (0.43) | KDM4EALDH1A1SMN1; SMN2MAPTTSHR | |
| SCHEMBL4871008 | 0.72 | KDM4E (0.59) | KDM4EMIFNPC1RAB9AALDH1A1 | |
| SCHEMBL8051552 | 0.71 | KDM4E (0.53) | KDM4EMIFNPC1RAB9AALDH1A1 | |
| SCHEMBL6247006 | 0.71 | KDM4E (1.00) | KDM4EMIFNPC1RAB9AALDH1A1 | |
| SCHEMBL4702338 | 0.71 | KDM4E (0.54) | KDM4EMIFNPC1RAB9AALDH1A1 |
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-0276793-B1 | 3-ARYL-5-ALKYLTHIO-4H-1,2,4-TRIAZOLES | MERRELL DOW PHARMACEUTICALS INC. (US) | 1993-06-16 | — | — | EP | claimed |
| EP-0276793-A2 | 3-Aryl-5-alkylthio-4H-1,2,4-triazoles | MERRELL DOW PHARMACEUTICALS INC. (US) | 1988-08-03 | — | — | EP | claimed |
| EP-0276793-B1 | 3-ARYL-5-ALKYLTHIO-4H-1,2,4-TRIAZOLES | MERRELL DOW PHARMACEUTICALS INC. (US) | 1993-06-16 | — | — | EP | disclosed |
| US-4981863-A | ANTIANXIETY | MERRELL DOW PHARMACEUTICALS (US) | 1991-01-01 | — | — | US | disclosed |
| US-4900743-A | TREATING MUSCLE SPASMS | MERRELL DOW PHARMACEUTICALS INC. (US) | 1990-02-13 | — | — | US | disclosed |
| EP-0276793-A2 | 3-Aryl-5-alkylthio-4H-1,2,4-triazoles | MERRELL DOW PHARMACEUTICALS INC. (US) | 1988-08-03 | — | — | EP | disclosed |