Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.63 |
| ▸ | TAS2R38 | P59533 | 1/20 | 0.63 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.63 |
| ▸ | RAB9A | P51151 | 3/20 | 0.58 |
| ▸ | NPC1 | O15118 | 2/20 | 0.58 |
| ▸ | HTT | P42858 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.58 |
| ▸ | MAOB | P27338 | 3/20 | 0.58 |
| ▸ | GAA | P10253 | 2/20 | 0.58 |
| ▸ | MAOA | P21397 | 2/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | MEN1 | O00255 | 3/20 | 0.53 |
| ▸ | NOX1 | Q9Y5S8 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 3/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.49 |
| ▸ | PPARG | P37231 | 1/20 | 0.49 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL4347956 | 0.85 | ALDH1A1 (0.58) | ALDH1A1RAB9ANPC1HTTKMT2A | |
| SCHEMBL4354098 | 0.83 | ALDH1A1 (0.47) | ALDH1A1CYP3A4TAS2R38HSD17B10RAB9A | |
| SCHEMBL4343605 | 0.82 | KMT2A (0.59) | ALDH1A1CYP3A4TAS2R38HSD17B10RAB9A | |
| SCHEMBL4346849 | 0.82 | ALDH1A1 (0.68) | ALDH1A1CYP3A4TAS2R38HSD17B10RAB9A | |
| SCHEMBL5450586 | 0.81 | ALDH1A1 (0.71) | ALDH1A1CYP3A4TAS2R38HSD17B10RAB9A | |
| SCHEMBL4342381 | 0.81 | KMT2A (0.68) | RAB9ANPC1HTTKMT2AMAOB | |
| SCHEMBL4342470 | 0.81 | IDO1 (0.60) | ALDH1A1CYP3A4HSD17B10HTTKMT2A | |
| SCHEMBL4355796 | 0.80 | MAPT (0.66) | ALDH1A1RAB9ANPC1HTTKMT2A | |
| SCHEMBL6815028 | 0.80 | GAA (0.60) | ALDH1A1CYP3A4HTTKMT2AMAOB | |
| SCHEMBL132620 | 0.79 | ALDH1A1 (1.00) | ALDH1A1CYP3A4TAS2R38HSD17B10RAB9A |
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 |