Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 2/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | GFER | P55789 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.48 |
| ▸ | BCHE | P06276 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | EGFR | P00533 | 2/20 | 0.45 |
| ▸ | KDR | P35968 | 2/20 | 0.45 |
| ▸ | CISD2 | Q8N5K1 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL29663729 | 0.87 | MAPT (0.69) | POLBMAPTALDH1A1GFERCYP3A4 | |
| SCHEMBL4348931 | 0.81 | ALDH1A1 (0.56) | POLBMAPTALDH1A1GFERCYP3A4 | |
| SCHEMBL4346930 | 0.81 | MAPT (0.56) | POLBMAPTALDH1A1GFERCYP3A4 | |
| SCHEMBL4353831 | 0.78 | ALDH1A1 (0.47) | POLBMAPTALDH1A1GFERCYP3A4 | |
| SCHEMBL19454815 | 0.78 | ALDH1A1 (0.59) | POLBMAPTALDH1A1GFERCYP3A4 | |
| SCHEMBL10792245 | 0.78 | TSHR (0.53) | POLBMAPTALDH1A1GFERMEN1 | |
| SCHEMBL12644730 | 0.75 | ABCB1 (0.55) | POLBMAPTALDH1A1GFERCYP3A4 | |
| SCHEMBL4345400 | 0.75 | RAB9A (0.69) | MAPTALDH1A1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL4347079 | 0.75 | MAPT (0.49) | POLBMAPTALDH1A1GFERCYP3A4 | |
| SCHEMBL4347878 | 0.75 | MAPT (0.49) | POLBMAPTALDH1A1GFERCYP3A4 |
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 |