Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 4/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | POLB | P06746 | 2/20 | 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 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 4/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.48 |
| ▸ | STAT3 | P40763 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.48 |
| ▸ | BCHE | P06276 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | TOP1 | P11387 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL4351818 | 0.87 | MAPT (0.47) | MAPTALDH1A1POLBGFERCYP3A4 | |
| SCHEMBL29663729 | 0.87 | MAPT (0.69) | MAPTALDH1A1POLBGFERCYP3A4 | |
| SCHEMBL4347878 | 0.86 | MAPT (0.49) | MAPTALDH1A1POLBGFERCYP3A4 | |
| SCHEMBL4341181 | 0.85 | MAPT (0.58) | MAPTALDH1A1POLBGFERLMNA | |
| SCHEMBL9362476 | 0.85 | MAPT (0.60) | MAPTALDH1A1POLBGFERCYP3A4 | |
| SCHEMBL4346250 | 0.82 | MEN1 (0.59) | MAPTALDH1A1POLBGFERSMN1; SMN2 | |
| SCHEMBL4348931 | 0.81 | ALDH1A1 (0.56) | MAPTALDH1A1POLBGFERCYP3A4 | |
| SCHEMBL4357296 | 0.81 | POLB (0.56) | MAPTALDH1A1POLBGFERCYP3A4 | |
| SCHEMBL4343768 | 0.81 | MAPT (0.49) | MAPTALDH1A1POLBGFERCYP3A4 | |
| SCHEMBL6567241 | 0.81 | EPHX1 (0.59) | MAPTALDH1A1POLBCYP3A4LMNA |
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 |