Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.42 |
| ▸ | CAMKK2 | Q96RR4 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.42 |
| ▸ | NCOR2 | Q9Y618 | 2/20 | 0.42 |
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.40 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL172988 | 0.79 | MAOA (0.57) | ALDH1A1TSHRHDAC3HDAC1HDAC2 | |
| SCHEMBL10246603 | 0.74 | ALDH1A1 (0.46) | ALDH1A1TSHRNPC1RAB9AAOC3 | |
| SCHEMBL524817 | 0.74 | CALM1 (0.65) | ALDH1A1TSHRCALM1CAMKK2BCHE | |
| SCHEMBL31093168 | 0.74 | HDAC3 (0.45) | HDAC3HDAC1HDAC2HDAC8NCOR2 | |
| SCHEMBL31093195 | 0.72 | HDAC3 (0.44) | ALDH1A1TSHRNPC1RAB9AHDAC3 | |
| SCHEMBL34474245 | 0.72 | NPC1 (0.58) | ALDH1A1TSHRNPC1RAB9AHDAC3 | |
| SCHEMBL12842010 | 0.72 | ALDH1A1 (0.43) | ALDH1A1TSHRNPC1RAB9AAOC3 | |
| SCHEMBL11273441 | 0.72 | ALDH1A1 (0.57) | ALDH1A1NPC1RAB9AHDAC3HDAC1 | |
| SCHEMBL31092981 | 0.72 | CARM1 (0.58) | ALDH1A1TSHRNPC1RAB9ASIGMAR1 | |
| SCHEMBL2073073 | 0.71 | HTT (0.50) | ALDH1A1TSHRACHE |
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-2459525-B1 | ENANTIO- AND STEREO-SPECIFIC SYNTHESES OF -AMINO- - HYDROXY AMIDES | MERCK SHARP & DOHME (US) | 2017-03-01 | — | — | EP | disclosed |