Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KHK | P50053 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.44 |
| ▸ | SMO | Q99835 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.43 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.43 |
| ▸ | TTK | P33981 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9681944 | 0.99 | KHK (0.50) | KHKALDH1A1KMT2AKDM4EMEN1 | |
| SCHEMBL9763384 | 0.87 | KHK (0.48) | KHKALDH1A1KMT2AKDM4EMEN1 | |
| SCHEMBL9681940 | 0.86 | KHK (0.48) | KHKKMT2AMEN1SMN1; SMN2LMNA | |
| SCHEMBL9681952 | 0.84 | LMNA (0.45) | LMNASMO | |
| SCHEMBL9681232 | 0.84 | HTR1A (0.44) | LMNASMOCYP1A2CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL9680782 | 0.83 | LMNA (0.44) | ALDH1A1KDM4ELMNASMO | |
| Bromide SCHEMBL9681411 | 0.83 | HTR1A (0.44) | LMNASMOCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL9682148 | 0.81 | KMT2A (0.52) | ALDH1A1KMT2AKDM4EMEN1SMN1; SMN2 | |
| SCHEMBL9681305 | 0.81 | KHK (0.47) | KHKKDM4EHRH4 | |
| SCHEMBL9680605 | 0.80 | DRD2 (0.57) | KHKALDH1A1KDM4ELMNANPC1 |
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 1 patent. 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 |