Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 5/20 | 0.44 |
| ▸ | HTR2C | P28335 | 5/20 | 0.44 |
| ▸ | HTR3E | A5X5Y0 | 3/20 | 0.44 |
| ▸ | HTR3B | O95264 | 3/20 | 0.44 |
| ▸ | HTR3A | P46098 | 3/20 | 0.44 |
| ▸ | HTR3D | Q70Z44 | 3/20 | 0.44 |
| ▸ | HTR3C | Q8WXA8 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | CASP7 | P55210 | 1/20 | 0.42 |
| ▸ | SMO | Q99835 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL9681411 | 0.99 | HTR1A (0.44) | HTR1AHTR2CHTR3EHTR3BHTR3A | |
| SCHEMBL9681924 | 0.90 | HTR1A (0.47) | HTR1AHTR2CHTR3EHTR3BHTR3A | |
| Hydrochloric Acid SCHEMBL9680620 | 0.89 | HTR1A (0.47) | HTR1AHTR2CHTR3EHTR3BHTR3A | |
| SCHEMBL9763064 | 0.84 | KHK (0.51) | LMNACYP1A2CYP3A4CYP2D6SMO | |
| Hydrochloric Acid SCHEMBL9681944 | 0.83 | KHK (0.50) | LMNACYP1A2CYP3A4CYP2D6SMO | |
| SCHEMBL9681952 | 0.81 | LMNA (0.45) | HTR1AHTR2CHTR3EHTR3BHTR3A | |
| Hydrochloric Acid SCHEMBL9680782 | 0.81 | LMNA (0.44) | HTR1AHTR2CHTR3EHTR3BHTR3A | |
| SCHEMBL9681940 | 0.80 | KHK (0.48) | HTR1AHTR2CHTR3EHTR3BHTR3A | |
| SCHEMBL9681305 | 0.78 | KHK (0.47) | HTR1AHTR2CHTR3AMAPT | |
| SCHEMBL9680606 | 0.75 | TP53 (0.45) | LMNAMAPTSMO |
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 2 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 |
| US-5134236-A | Analgesics, antidepressants, anticonvulsants | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1992-07-28 | — | — | US | disclosed |