Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 11/20 | 0.62 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 4/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | LMNA | P02545 | 4/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | MTOR | P42345 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | HTR2C | P28335 | 2/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL2615211 | 0.83 | SLC6A4 (0.85) | SLC6A4SLC6A2MEN1KMT2ALMNA | |
| SCHEMBL2615212 | 0.83 | SLC6A4 (0.85) | SLC6A4SLC6A2MEN1KMT2ALMNA | |
| SCHEMBL21770743 | 0.80 | SLC6A4 (0.57) | SLC6A4SLC6A2MEN1KMT2ALMNA | |
| SCHEMBL21770733 | 0.79 | SLC6A4 (0.57) | SLC6A4SLC6A2MEN1KMT2ALMNA | |
| SCHEMBL2615210 | 0.79 | SLC6A4 (0.76) | SLC6A4SLC6A2MEN1KMT2ALMNA | |
| SCHEMBL2615209 | 0.77 | SLC6A4 (1.00) | SLC6A4SLC6A2MEN1KMT2ALMNA | |
| SCHEMBL4740237 | 0.75 | SLC6A4 (0.78) | SLC6A4SLC6A2MEN1KMT2ALMNA | |
| SCHEMBL15308539 | 0.75 | PYCR1 (0.56) | MEN1KMT2AKDM4ESIGMAR1HRH3 | |
| SCHEMBL9197291 | 0.74 | SLC6A4 (0.61) | SLC6A4SLC6A2MEN1KMT2ALMNA | |
| SCHEMBL14566144 | 0.73 | TAAR1 (0.55) | MEN1KMT2ALMNARAB9ASIGMAR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3452475-B1 | TETRAHYDROPYRIMIDODIAZEPINE AND TETRAHYDROPYRIDODIAZEPINE COMPOUNDS FOR TREATING PAIN AND PAIN RELATED CONDITIONS | ESTEVE PHARMACEUTICALS SA (ES) | 2020-02-26 | — | — | EP | disclosed |