Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.56 |
| ▸ | NPC1 | O15118 | 5/20 | 0.48 |
| ▸ | RAB9A | P51151 | 5/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | TSHR | P16473 | 6/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | MIF | P14174 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.42 |
| ▸ | FEN1 | P39748 | 1/20 | 0.42 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL12596380 | 0.78 | KDM4E (0.65) | KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL9217722 | 0.75 | HSD11B1 (0.49) | ALDH1A1TSHRKMT2AL3MBTL1 | |
| SCHEMBL1234818 | 0.75 | KDM4E (0.61) | KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL9525466 | 0.73 | SMN1; SMN2 (0.42) | KDM4ESMN1; SMN2ALDH1A1TSHRMEN1 | |
| SCHEMBL4871008 | 0.73 | KDM4E (0.59) | KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL6247006 | 0.72 | KDM4E (1.00) | KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL16363152 | 0.71 | KDM4E (0.56) | KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL6247005 | 0.71 | KDM4E (0.74) | KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL9525643 | 0.70 | KDM4E (0.55) | KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL9219975 | 0.70 | HSD11B1 (0.50) | — |
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 |