Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.48 |
| ▸ | ESR1 | P03372 | 1/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | SPHK1 | Q9NYA1 | 3/20 | 0.46 |
| ▸ | SPHK2 | Q9NRA0 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 4/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL28079605 | 0.86 | RORC (0.48) | TP53ALDH1A1 | |
| SCHEMBL22570215 | 0.86 | RORC (0.48) | TP53ALDH1A1 | |
| SCHEMBL28079359 | 0.83 | RORC (0.52) | ESR1TP53MEN1KMT2A | |
| SCHEMBL28079474 | 0.82 | MEN1 (0.46) | TP53MEN1ALDH1A1KMT2A | |
| SCHEMBL28079360 | 0.82 | RORC (0.53) | TP53KDM4EALDH1A1 | |
| SCHEMBL28079480 | 0.80 | KMT2A (0.43) | NPC1SMN1; SMN2KDM4EMEN1ALDH1A1 | |
| SCHEMBL28079473 | 0.80 | BCHE (0.45) | KDM4EALDH1A1KMT2ANPSR1 | |
| SCHEMBL28079355 | 0.78 | MEN1 (0.53) | SMN1; SMN2KDM4EMEN1ALDH1A1KMT2A | |
| SCHEMBL16937202 | 0.77 | OPRM1 (0.53) | RAB9ATP53MAOBSMN1; SMN2 | |
| SCHEMBL11711368 | 0.76 | NPC1 (0.47) | HRH3NPC1RAB9ATP53MAOB |
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 |
|---|---|---|---|---|---|---|---|
| CN-105693598-A | Method for synthesis of 3-piperidone derivatives through iridium catalytic hydrogenation | 中国科学院大连化学物理研究所 | 2016-06-22 | — | — | CN | disclosed |