Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MIF | P14174 | 1/20 | 0.49 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.44 |
| ▸ | P2RX7 | Q99572 | 7/20 | 0.41 |
| ▸ | IDO1 | P14902 | 2/20 | 0.41 |
| ▸ | AGXT | P21549 | 2/20 | 0.41 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29159464 | 1.00 | MIF (0.49) | MIFTAAR1P2RX7IDO1AGXT | |
| SCHEMBL29159444 | 0.81 | TAAR1 (0.43) | TAAR1P2RX7IDO1ATMMAOB | |
| SCHEMBL30799472 | 0.81 | TAAR1 (0.43) | TAAR1P2RX7IDO1ATMMAOB | |
| SCHEMBL14034153 | 0.77 | MAPT (0.41) | MIFTAAR1KDM4ECYP3A4CYP2D6 | |
| SCHEMBL15944879 | 0.77 | MAPT (0.41) | MIFTAAR1KDM4ECYP3A4CYP2D6 | |
| SCHEMBL8545241 | 0.77 | MAPT (0.41) | MIFTAAR1KDM4ECYP3A4CYP2D6 | |
| SCHEMBL30799587 | 0.77 | TAAR1 (0.47) | TAAR1IDO1AGXTMAOBGRIN2B | |
| SCHEMBL17218852 | 0.77 | IDO1 (0.50) | TAAR1IDO1AGXTKDM4ECYP1A2 | |
| SCHEMBL29159457 | 0.77 | TAAR1 (0.47) | TAAR1IDO1AGXTMAOBGRIN2B | |
| SCHEMBL2588068 | 0.74 | NPC1 (0.58) | MIFTAAR1P2RX7IDO1AGXT |
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-117603248-A | Alkynyl-containing aromatic amine compound and preparation method thereof | 西南医科大学 | 2024-02-27 | — | — | CN | disclosed |