Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | TAS2R38 | P59533 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | GAA | P10253 | 4/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | CNR1 | P21554 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4355430 | 0.89 | CNR1 (0.47) | ALDH1A1HTTNPC1RAB9AKMT2A | |
| SCHEMBL4341765 | 0.86 | KMT2A (0.54) | HSD17B10HTTNPC1RAB9AKMT2A | |
| SCHEMBL4354075 | 0.86 | IDO1 (0.46) | ALDH1A1HTTKMT2AGAALMNA | |
| SCHEMBL4351932 | 0.85 | KDM4E (0.41) | ALDH1A1HTTKMT2AGAALMNA | |
| SCHEMBL4342192 | 0.85 | MAPT (0.53) | ALDH1A1HTTNPC1RAB9AKMT2A | |
| SCHEMBL4351892 | 0.83 | ALDH1A1 (0.63) | ALDH1A1CYP3A4TAS2R38HSD17B10HTT | |
| SCHEMBL4348451 | 0.83 | PDE2A (0.48) | ALDH1A1CYP3A4HTTKMT2AGAA | |
| SCHEMBL4350105 | 0.83 | MAPT (0.55) | ALDH1A1HTTNPC1RAB9AKMT2A | |
| SCHEMBL27782814 | 0.83 | MEN1 (0.38) | ALDH1A1CYP3A4HTTNPC1RAB9A | |
| SCHEMBL4349855 | 0.82 | KMT2A (0.56) | ALDH1A1CYP3A4KMT2AGAAHPGD |
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 |