Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 4/20 | 0.77 |
| ▸ | NPC1 | O15118 | 3/20 | 0.76 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.62 |
| ▸ | MEN1 | O00255 | 3/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.58 |
| ▸ | DRD3 | P35462 | 3/20 | 0.58 |
| ▸ | TP53 | P04637 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.56 |
| ▸ | HPGD | P15428 | 3/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | HTT | P42858 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL2496934 | 0.85 | NPC1 (0.73) | DRD2NPC1L3MBTL1MEN1KMT2A | |
| SCHEMBL4197148 | 0.83 | NPC1 (0.81) | DRD2NPC1L3MBTL1MEN1KMT2A | |
| SCHEMBL11512132 | 0.82 | DRD2 (0.78) | DRD2NPC1L3MBTL1MEN1KMT2A | |
| SCHEMBL974759 | 0.80 | ALDH1A1 (0.69) | DRD2NPC1L3MBTL1MEN1KMT2A | |
| SCHEMBL23334055 | 0.80 | KDM4E (0.58) | DRD2NPC1L3MBTL1MEN1KMT2A | |
| SCHEMBL4385569 | 0.80 | DRD2 (0.71) | DRD2NPC1L3MBTL1MEN1KMT2A | |
| SCHEMBL4041382 | 0.80 | DRD2 (0.71) | DRD2NPC1L3MBTL1MEN1KMT2A | |
| SCHEMBL9223422 | 0.78 | NPC1 (0.55) | DRD2NPC1KMT2ADRD3ALDH1A1 | |
| SCHEMBL11511326 | 0.77 | TSHR (0.63) | DRD2NPC1MEN1KMT2AKDM4E | |
| SCHEMBL6410921 | 0.77 | NPC1 (0.67) | DRD2NPC1MEN1KMT2AALDH1A1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0495226-B1 | 3-Aryl-5-alkylthio-4H-1,2,4-triazoles for treatment of hyperreflexia due to spinal trauma | MERRELL DOW PHARMA (US) | 1995-10-11 | — | — | EP | disclosed |
| US-5260450-A | Anticonvulsants | MERRELL DOW PHARMACEUTICALS INC. (US) | 1993-11-09 | — | — | US | disclosed |
| EP-0276793-B1 | 3-ARYL-5-ALKYLTHIO-4H-1,2,4-TRIAZOLES | MERRELL DOW PHARMACEUTICALS INC. (US) | 1993-06-16 | — | — | EP | disclosed |
| US-5158968-A | 3-aryl-5-alkylthio-4H-1,2,4-traizoles for treatment of hyperreflexia due to spinal trauma | MERRELL DOW PHARMACEUTICALS INC. (US) | 1992-10-27 | — | — | US | disclosed |
| US-5143933-A | Anticonvulsants | MERRELL DOW PHARMACEUTICALS INC. (US) | 1992-09-01 | — | — | US | disclosed |
| EP-0495226-A2 | 3-Aryl-5-alkylthio-4H-1,2,4-triazoles for treatment of hyperreflexia due to spinal trauma | MERRELL DOW PHARMACEUTICALS INC. (US) | 1992-07-22 | — | — | 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 |
| US-4178253-A | 1,2,4-TRIAZOLE COMPOUNDS | CIBA-GEIGY CORPORATION (US) | 1979-12-11 | — | — | US | disclosed |