Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | XBP1 | P17861 | 1/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.38 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.34 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 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 | |
|---|---|---|---|---|
| SCHEMBL4275385 | 0.89 | ALDH1A1 (0.34) | ALDH1A1HTTXBP1MTNR1AMTNR1B | |
| SCHEMBL4410486 | 0.81 | HTR2C (0.44) | ALDH1A1MTNR1AMTNR1BHTR2C | |
| SCHEMBL4412361 | 0.75 | CHRM2 (0.44) | ALDH1A1RAB9AMEN1KMT2ACHRM1 | |
| SCHEMBL4551783 | 0.74 | MTNR1B (0.40) | ALDH1A1HTTXBP1MTNR1AMTNR1B | |
| SCHEMBL9147702 | 0.65 | POLB (0.45) | ALDH1A1HTTXBP1MTNR1AMTNR1B | |
| SCHEMBL8760547 | 0.65 | POLB (0.45) | ALDH1A1HTTXBP1MTNR1AMTNR1B | |
| SCHEMBL8760557 | 0.65 | POLB (0.45) | ALDH1A1HTTXBP1MTNR1AMTNR1B | |
| SCHEMBL10641730 | 0.65 | PIN1 (0.51) | ALDH1A1HTTXBP1 | |
| SCHEMBL8760542 | 0.65 | POLB (0.45) | ALDH1A1HTTXBP1MTNR1AMTNR1B | |
| SCHEMBL4411576 | 0.65 | MTNR1A (0.43) | ALDH1A1MTNR1AMTNR1B |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009110002-A1 | NOVEL EFFLUX PUMP INHIBITORS | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2009-09-11 | — | — | WO | disclosed |