Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.53 |
| ▸ | NPC1 | O15118 | 4/20 | 0.53 |
| ▸ | RAB9A | P51151 | 3/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.53 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.53 |
| ▸ | RELA | Q04206 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.52 |
| ▸ | HTT | P42858 | 2/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | PKM | P14618 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL6568498 | 0.99 | ALDH1A1 (0.54) | ALDH1A1SMN1; SMN2NPC1RAB9AHPGD | |
| SCHEMBL1947822 | 0.86 | ALDH1A1 (0.62) | ALDH1A1SMN1; SMN2NPC1RAB9AHPGD | |
| SCHEMBL1948582 | 0.85 | ALDH1A1 (0.64) | ALDH1A1SMN1; SMN2NPC1RAB9AHPGD | |
| SCHEMBL6567255 | 0.84 | EPHX2 (0.59) | ALDH1A1SMN1; SMN2NPC1RAB9AHPGD | |
| SCHEMBL12218001 | 0.81 | LDLR (0.65) | ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A | |
| SCHEMBL1946832 | 0.77 | KMT2A (0.62) | ALDH1A1SMN1; SMN2NPC1RAB9AHPGD | |
| SCHEMBL4345960 | 0.77 | EPHX1 (0.64) | ALDH1A1NPC1RAB9AHPGDKMT2A | |
| SCHEMBL26634671 | 0.77 | LMNA (0.60) | ALDH1A1SMN1; SMN2NPC1RAB9AHPGD | |
| SCHEMBL6677728 | 0.76 | LDLR (0.77) | ALDH1A1SMN1; SMN2NPC1RAB9AHPGD | |
| SCHEMBL9845442 | 0.76 | LDLR (0.69) | ALDH1A1SMN1; SMN2NPC1RAB9AHPGD |
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-1402887-A1 | New compounds for the inhibition of undesired cell proliferation and use thereof | Jerini AG (DE) | 2004-03-31 | — | — | EP | claimed |
| EP-1402888-A1 | The use of substituted carbocyclic compounds as rotamases inhibitors | Jerini AG (DE) | 2004-03-31 | — | — | EP | claimed |