Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.64 |
| ▸ | PLAU | P00749 | 1/20 | 0.64 |
| ▸ | ELANE | P08246 | 1/20 | 0.64 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.63 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.63 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.63 |
| ▸ | NPC1 | O15118 | 6/20 | 0.62 |
| ▸ | RAB9A | P51151 | 6/20 | 0.62 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.58 |
| ▸ | GAA | P10253 | 2/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.58 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 3/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL9110617 | 0.94 | HDAC3 (0.59) | ALDH1A1PLAUELANEHDAC3HDAC1 | |
| SCHEMBL7705937 | 0.85 | ALDH1A1 (0.76) | ALDH1A1HDAC2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL29006697 | 0.85 | PLAU (0.68) | ALDH1A1PLAUELANEHDAC3HDAC1 | |
| SCHEMBL9107032 | 0.85 | HDAC3 (0.65) | ALDH1A1HDAC3HDAC1HDAC2NPC1 | |
| SCHEMBL17141809 | 0.81 | HDAC3 (0.83) | HDAC3HDAC1HDAC2NPC1RAB9A | |
| SCHEMBL8548802 | 0.80 | NPC1 (0.72) | ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL9110816 | 0.80 | HDAC3 (0.63) | ALDH1A1HDAC3HDAC1HDAC2NPC1 | |
| SCHEMBL4927732 | 0.80 | GAA (0.75) | ALDH1A1PLAUELANENPC1RAB9A | |
| SCHEMBL6562293 | 0.80 | MEN1 (0.62) | ALDH1A1NPC1RAB9ASMN1; SMN2GAA | |
| SCHEMBL2335992 | 0.79 | KMT2A (0.71) | ALDH1A1NPC1RAB9ASMN1; SMN2GAA |
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-0631571-A1 | PREPARATION OF OPTICALLY ACTIVE HYDRAZINES AND AMINES. | DU PONT (US) | 1995-01-04 | — | — | EP | disclosed |