Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDO2 | P48775 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.44 |
| ▸ | HPGDS | O60760 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.41 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.41 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 4/20 | 0.38 |
| ▸ | RAB9A | P51151 | 4/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL17051508 | 0.83 | HPGDS (0.46) | TDO2PTGS2HPGDSHDAC1HDAC6 | |
| SCHEMBL27831836 | 0.79 | HDAC4 (0.45) | TDO2PTGS2HPGDSHDAC1HDAC6 | |
| SCHEMBL11996767 | 0.78 | ACHE (0.46) | HDAC1HDAC6HDAC3HDAC4HDAC7 | |
| SCHEMBL2757257 | 0.78 | TDO2 (0.51) | TDO2PTGS2HPGDSNPC1RAB9A | |
| SCHEMBL11996724 | 0.78 | CYP2A6 (0.56) | PTGS2HPGDSHDAC1HDAC6NPC1 | |
| SCHEMBL29880496 | 0.78 | CYP2A6 (0.56) | PTGS2HPGDSHDAC1HDAC6NPC1 | |
| SCHEMBL22219385 | 0.77 | PTGS2 (0.40) | TDO2PTGS2HPGDSNPC1RAB9A | |
| SCHEMBL424656 | 0.77 | — | — | |
| SCHEMBL29918724 | 0.77 | — | — | |
| SCHEMBL676678 | 0.77 | HPGDS (0.56) | TDO2PTGS2HPGDSHDAC1HDAC6 |
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-102300857-A | N-{[(ir,4s,6r-3-(2-pyridinylcarbonyl)-3-azabicyclo [4.1.0]hept-4-yl] Methyl}-2-heteroarylamine Derivatives And Uses Thereof | — | 2011-12-28 | — | — | CN | disclosed |