Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | NCF1 | P14598 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | PLG | P00747 | 1/20 | 0.32 |
| ▸ | PLAT | P00750 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.31 |
| ▸ | TPSD1 | Q9BZJ3 | 1/20 | 0.31 |
| ▸ | TPSG1 | Q9NRR2 | 1/20 | 0.31 |
| ▸ | CTSL | P07711 | 1/20 | 0.30 |
| ▸ | CTSB | P07858 | 1/20 | 0.30 |
| ▸ | CTSH | P09668 | 1/20 | 0.30 |
| ▸ | CTSK | P43235 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28113385 | 0.90 | NCF1 (0.39) | CYP2D6NCF1PLGPLATLMNA | |
| SCHEMBL27912461 | 0.85 | ALDH1A1 (0.34) | CYP2D6SMN1; SMN2ALDH1A1ATMLMNA | |
| SCHEMBL27842168 | 0.83 | ENO1 (0.33) | CYP2D6NCF1SMN1; SMN2RPS6KB1ALDH1A1 | |
| SCHEMBL27377906 | 0.83 | ENO1 (0.33) | CYP2D6NCF1SMN1; SMN2RPS6KB1ALDH1A1 | |
| SCHEMBL27841989 | 0.83 | ENO1 (0.33) | CYP2D6NCF1SMN1; SMN2RPS6KB1ALDH1A1 | |
| SCHEMBL8486494 | 0.79 | NCF1 (0.47) | CYP2D6NCF1PLGPLATLMNA | |
| SCHEMBL28101526 | 0.77 | CHRM2 (0.33) | CYP2D6CHRM2MEN1KMT2ACHRM1 | |
| Hydrochloric Acid SCHEMBL28528599 | 0.76 | CHRM2 (0.33) | CYP2D6SMN1; SMN2CHRM2MEN1KMT2A | |
| SCHEMBL7234663 | 0.75 | ALDH1A1 (0.43) | CYP2D6SMN1; SMN2ALDH1A1LMNACHRM2 | |
| SCHEMBL7405162 | 0.75 | CA12 (0.35) | CYP2D6ALDH1A1CHRM2MEN1KMT2A |
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-106188027-A | Heteroaromatic analog derivative and the application in medicine thereof | 广东东阳光药业有限公司 | 2016-12-07 | — | — | CN | disclosed |