Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 3/20 | 0.37 |
| ▸ | AGXT | P21549 | 2/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | MMP2 | P08253 | 2/20 | 0.36 |
| ▸ | MMP9 | P14780 | 2/20 | 0.36 |
| ▸ | MMP8 | P22894 | 2/20 | 0.36 |
| ▸ | MMP13 | P45452 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9602886 | 0.69 | LMNA (0.38) | ALDH1A1CYP2D6ATMIDO1AGXT | |
| SCHEMBL1824702 | 0.68 | MAOB (0.55) | ALDH1A1CYP2D6IDO1AGXTTAAR1 | |
| SCHEMBL9602820 | 0.67 | MGMT (0.34) | ALDH1A1 | |
| SCHEMBL4456076 | 0.67 | ALDH1A1 (0.38) | ALDH1A1CYP2D6ATMIDO1AGXT | |
| SCHEMBL1822033 | 0.65 | MAOB (0.47) | IDO1AGXTTAAR1SLC6A4MAOB | |
| Hydrochloric Acid SCHEMBL3966019 | 0.64 | IDO1 (0.47) | IDO1AGXTTAAR1SLC6A4MAOB | |
| SCHEMBL1824988 | 0.64 | SLC6A4 (0.46) | IDO1AGXTTAAR1SLC6A4MAOB | |
| SCHEMBL4868046 | 0.64 | TDP1 (0.52) | ALDH1A1IDO1AGXTTAAR1SLC6A4 | |
| Hydrochloric Acid SCHEMBL3967323 | 0.63 | IDO1 (0.46) | IDO1AGXTTAAR1SLC6A4MAOB | |
| SCHEMBL491284 | 0.62 | IDO1 (0.42) | ALDH1A1CYP2D6IDO1AGXTTAAR1 |
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-0206415-B1 | (4-PIPERIDINYLMETHYL AND -HETERO)PURINES | JANSSEN PHARMACEUTICA N.V. (BE) | 1993-01-27 | — | — | EP | disclosed |