Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KHK | P50053 | 2/20 | 0.48 |
| ▸ | HTR6 | P50406 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | HRH4 | Q9H3N8 | 4/20 | 0.44 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.43 |
| ▸ | HTR3B | O95264 | 2/20 | 0.43 |
| ▸ | HTR3A | P46098 | 2/20 | 0.43 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.43 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Fumaric Acid SCHEMBL9681228 | 0.90 | LMNA (0.44) | KHKHTR6CYP3A4CYP2D6MEN1 | |
| Fumaric Acid SCHEMBL9681236 | 0.90 | LMNA (0.44) | KHKHTR6CYP3A4CYP2D6MEN1 | |
| SCHEMBL6125292 | 0.89 | KHK (0.56) | KHKHTR6HRH4HTR3EHTR3B | |
| SCHEMBL9762766 | 0.88 | KHK (0.52) | KHKHRH4HTR3EHTR3BHTR3A | |
| Hydrochloric Acid SCHEMBL9682152 | 0.87 | KHK (0.54) | KHKHRH4HTR3EHTR3BHTR3A | |
| SCHEMBL9682530 | 0.86 | KHK (0.51) | KHKHTR6HRH4HTR3EHTR3B | |
| SCHEMBL9680680 | 0.86 | KHK (0.48) | KHKHRH4HTR3EHTR3BHTR3A | |
| Hydrochloric Acid SCHEMBL9681492 | 0.86 | KHK (0.51) | KHKHRH4HTR3EHTR3BHTR3A | |
| SCHEMBL9680624 | 0.86 | CYP1A2 (0.46) | KHKCYP3A4CYP2D6HRH4HTR3E | |
| SCHEMBL9763064 | 0.86 | KHK (0.51) | KHKCYP3A4CYP2D6HRH4MEN1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4999356-A | Analgesics, antidepressants, anticonvulsants | HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) | 1991-03-12 | — | — | US | claimed |
| JP-1066171-A | — | — | None | — | — | JP | disclosed |
| US-5134236-A | Analgesics, antidepressants, anticonvulsants | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1992-07-28 | — | — | US | disclosed |
| US-4999356-A | Analgesics, antidepressants, anticonvulsants | HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) | 1991-03-12 | — | — | US | disclosed |
| EP-0302423-A2 | 1-Phenyl-3-(1-piperazinyl)-1h-indazoles, a process and intermediates for their preparation, and the use thereof as medicaments | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1989-02-08 | — | — | EP | disclosed |