Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | MAPT | P10636 | 3/20 | 0.52 |
| ▸ | HTT | P42858 | 2/20 | 0.52 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 4/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | KIT | P10721 | 1/20 | 0.41 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4342368 | 0.83 | SMN1; SMN2 (0.52) | SMN1; SMN2ALDH1A1MAPTHTTALOX12 | |
| SCHEMBL4354215 | 0.83 | EPHX1 (0.61) | MEN1KMT2AEPHX1CYP2D6POLB | |
| SCHEMBL4359840 | 0.83 | MEN1 (0.54) | SMN1; SMN2ALDH1A1MAPTHTTALOX12 | |
| SCHEMBL8163960 | 0.79 | GRM4 (0.57) | SMN1; SMN2ALDH1A1MAPTHTTALOX12 | |
| SCHEMBL8174590 | 0.79 | KMT2A (0.56) | SMN1; SMN2ALDH1A1MAPTHTTALOX12 | |
| SCHEMBL4350098 | 0.78 | SMN1; SMN2 (0.63) | SMN1; SMN2ALDH1A1MAPTHTTALOX12 | |
| SCHEMBL12846475 | 0.76 | MEN1 (0.53) | SMN1; SMN2ALDH1A1MAPTHTTALOX12 | |
| SCHEMBL4347200 | 0.75 | SMN1; SMN2 (0.47) | SMN1; SMN2ALDH1A1MAPTHTTALOX12 | |
| SCHEMBL4347666 | 0.74 | ALDH1A1 (0.57) | SMN1; SMN2ALDH1A1MAPTHTTALOX12 | |
| SCHEMBL4348605 | 0.74 | SMN1; SMN2 (0.55) | SMN1; SMN2ALDH1A1MAPTHTTALOX12 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | claimed |
| CN-1701061-A | Novel compounds for inhibiting rotamase enzymes and uses thereof | JERINI AG (DE) | 2005-11-23 | — | — | CN | claimed |
| EP-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | disclosed |