Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | OGA | O60502 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL19145298 | 0.83 | MEN1 (0.53) | CYP2C9MEN1CYP3A4CYP2C19KMT2A | |
| SCHEMBL12503462 | 0.82 | HTR1A (0.49) | MEN1KMT2AOGANPC1RAB9A | |
| SCHEMBL14238181 | 0.81 | HDAC3 (0.49) | KMT2AHDAC6OGANPC1RAB9A | |
| SCHEMBL26707055 | 0.80 | GAA (0.53) | MEN1KMT2ASIGMAR1NPC1RAB9A | |
| SCHEMBL3662266 | 0.80 | MEN1 (0.53) | CYP2C9MEN1CYP3A4CYP2C19KMT2A | |
| SCHEMBL23870214 | 0.79 | KMT2A (0.49) | CYP2C9MEN1CYP3A4CYP2C19KMT2A | |
| SCHEMBL12412689 | 0.79 | CYP2C9 (0.49) | CYP2C9MEN1CYP3A4CYP2C19KMT2A | |
| SCHEMBL19105533 | 0.79 | CYP2C9 (0.49) | CYP2C9MEN1CYP3A4CYP2C19KMT2A | |
| SCHEMBL19977414 | 0.79 | CYP2C9 (0.45) | CYP2C9MEN1CYP3A4CYP2C19KMT2A | |
| SCHEMBL19145347 | 0.78 | KDM4E (0.49) | MEN1KMT2AOGANPC1RAB9A |
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-3402781-B1 | 3-((HETERO-)ARYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES | GRUENENTHAL GMBH (DE) | 2020-03-04 | — | — | EP | disclosed |