Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | LTA4H | P09960 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.44 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2938207 | 0.85 | ALDH1A1 (0.69) | ALDH1A1KMT2ALTA4HSMN1; SMN2NPSR1 | |
| SCHEMBL10873426 | 0.83 | ALDH1A1 (0.57) | ALDH1A1KMT2ALTA4HSMN1; SMN2NPSR1 | |
| SCHEMBL18828911 | 0.83 | S1PR1 (0.57) | ALDH1A1KMT2ASMN1; SMN2S1PR1S1PR3 | |
| SCHEMBL13496891 | 0.82 | ALDH1A1 (0.61) | ALDH1A1KMT2ALTA4HSMN1; SMN2NPSR1 | |
| SCHEMBL3503996 | 0.81 | ALDH1A1 (0.81) | ALDH1A1KMT2ASMN1; SMN2NPSR1HDAC8 | |
| Hydrochloric Acid SCHEMBL15392980 | 0.79 | ALDH1A1 (0.78) | ALDH1A1KMT2ASMN1; SMN2NPSR1HDAC8 | |
| SCHEMBL2478156 | 0.79 | LTA4H (0.55) | ALDH1A1KMT2ALTA4HHPGDHDAC1 | |
| SCHEMBL8743123 | 0.79 | ALDH1A1 (0.53) | ALDH1A1KMT2ALTA4HSMN1; SMN2S1PR1 | |
| SCHEMBL15638889 | 0.79 | SIGMAR1 (0.72) | ALDH1A1MAOAHDAC8HDAC3HDAC1 | |
| SCHEMBL8601871 | 0.79 | ALDH1A1 (0.61) | ALDH1A1KMT2ALTA4HSMN1; SMN2NPSR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0236872-B1 | HYDROXYL AMINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS | F. HOFFMANN-LA ROCHE AG (CH) | 1992-11-25 | — | — | EP | claimed |
| EP-0236872-A2 | Hydroxyl amine derivatives, their preparation and use as medicaments | F. HOFFMANN-LA ROCHE AG (CH) | 1987-09-16 | — | — | EP | claimed |