Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RORC | P51449 | 5/20 | 0.52 |
| ▸ | TACR1 | P25103 | 2/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | MDM2 | Q00987 | 2/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | DRD4 | P21917 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL28079605 | 0.91 | RORC (0.48) | RORCTACR1TP53MDM2 | |
| SCHEMBL22570215 | 0.91 | RORC (0.48) | RORCTACR1TP53MDM2 | |
| SCHEMBL28079474 | 0.88 | MEN1 (0.46) | RORCTP53MEN1KMT2ABCHE | |
| SCHEMBL28079360 | 0.88 | RORC (0.53) | RORCTACR1SIGMAR1TP53BCHE | |
| SCHEMBL28079469 | 0.85 | TP53 (0.46) | RORCSIGMAR1TP53MDM2HTT | |
| SCHEMBL28079473 | 0.85 | BCHE (0.45) | TACR1SIGMAR1KMT2ABCHEACHE | |
| SCHEMBL28079581 | 0.83 | HRH3 (0.48) | TP53ESR1MEN1KMT2A | |
| SCHEMBL28079480 | 0.83 | KMT2A (0.43) | SIGMAR1MEN1KMT2ADRD4HTT | |
| SCHEMBL28079472 | 0.81 | POLB (0.44) | RORCTP53 | |
| SCHEMBL28079479 | 0.81 | RORC (0.54) | RORCTACR1SIGMAR1TP53 |
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 |