Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.38 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.38 |
| ▸ | LSS | P48449 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 2/20 | 0.37 |
| ▸ | MAOB | P27338 | 2/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | HRH1 | P35367 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL26483162 | 0.81 | ALDH1A1 (0.47) | ALDH1A1RAB9AHTTNPC1MEN1 | |
| SCHEMBL3149087 | 0.76 | PYCR1 (0.56) | ALDH1A1RAB9AHTTNPC1MEN1 | |
| SCHEMBL7119896 | 0.71 | HDAC6 (0.58) | ALDH1A1MEN1KMT2ASMN1; SMN2MAPT | |
| SCHEMBL18610660 | 0.71 | ADRB2 (0.38) | RAB9AHTTMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL8617898 | 0.69 | MAOA (0.48) | ALDH1A1RAB9AHTTNPC1MEN1 | |
| SCHEMBL11071201 | 0.69 | MAOA (0.45) | ALDH1A1KMT2AMAPTPOLBMAOA | |
| SCHEMBL17887509 | 0.69 | ALDH1A1 (0.61) | ALDH1A1RAB9AHTTNPC1SMN1; SMN2 | |
| SCHEMBL4806015 | 0.69 | RAB9A (0.50) | ALDH1A1RAB9AHTTNPC1MEN1 | |
| Bromide SCHEMBL6061518 | 0.68 | MAOA (0.44) | ALDH1A1KMT2ASMN1; SMN2MAPTPOLB | |
| Hydrochloric Acid SCHEMBL6061385 | 0.68 | MAOA (0.47) | ALDH1A1KMT2ASMN1; SMN2MAPTPOLB |
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-2017037595-A1 | NOVEL CARBOCYCLIC COMPOUNDS AS ROR GAMMA MODULATORS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2017-03-09 | — | — | WO | disclosed |