Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.37 |
| ▸ | DRD1 | P21728 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | HRH1 | P35367 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| SCHEMBL5113337 | 0.90 | CYP2D6 (0.42) | ALDH1A1SMN1; SMN2TSHRCYP2D6CYP2C19 | |
| SCHEMBL6225489 | 0.83 | USP2 (0.35) | ALDH1A1SMN1; SMN2POLBUSP2KMT2A | |
| SCHEMBL8759441 | 0.82 | ALDH1A1 (0.40) | ALDH1A1SMN1; SMN2TSHRCYP2D6CYP2C19 | |
| SCHEMBL19994990 | 0.82 | CYP2D6 (0.42) | ALDH1A1SMN1; SMN2TSHRCYP2D6CYP2C19 | |
| SCHEMBL104821 | 0.78 | ALDH1A1 (0.42) | ALDH1A1TSHRCYP2D6CYP2C19POLB | |
| SCHEMBL16320531 | 0.75 | NPSR1 (0.48) | ALDH1A1TSHRPOLBKMT2ARAB9A | |
| SCHEMBL9276044 | 0.75 | KMT2A (0.43) | ALDH1A1CYP2D6CYP2C19POLBKMT2A | |
| SCHEMBL1448809 | 0.75 | CYP2D6 (0.41) | ALDH1A1SMN1; SMN2TSHRCYP2D6CYP2C19 | |
| SCHEMBL229388 | 0.74 | ALDH1A1 (0.45) | ALDH1A1SMN1; SMN2TSHRCYP2D6CYP2C19 | |
| SCHEMBL4647647 | 0.74 | ALDH1A1 (0.45) | ALDH1A1SMN1; SMN2TSHRCYP2D6CYP2C19 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5405843-A | Anticancer drug potentiators | MITSUI TOATSU CHEMICALS, INCORPORATED (JP) | 1995-04-11 | — | — | US | disclosed |
| EP-0363212-B1 | Novel heterocyclic compounds and anticancer-drug reinforcing agents containing them as effective components | MITSUI TOATSU CHEMICALS (JP) | 1995-01-04 | — | — | EP | disclosed |
| US-5204348-A | Quinoline derivatives | MITSUI TOATSU CHEMICALS INC. (JP) | 1993-04-20 | — | — | US | disclosed |
| US-5112817-A | Anticancer Drug Potentiators | MITSUI TOATSU CHEMICALS, INCORPORATED (JP) | 1992-05-12 | — | — | US | disclosed |
| EP-0363212-A2 | Novel heterocyclic compounds and anticancer-drug reinforcing agents containing them as effective components | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1990-04-11 | — | — | EP | disclosed |