Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 5/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | POLB | P06746 | 2/20 | 0.58 |
| ▸ | GFER | P55789 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.53 |
| ▸ | MEN1 | O00255 | 4/20 | 0.53 |
| ▸ | RAB9A | P51151 | 3/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | BCHE | P06276 | 2/20 | 0.47 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | HTR2A | P28223 | 1/20 | 0.45 |
| ▸ | HTR2C | P28335 | 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 | |
|---|---|---|---|---|
| SCHEMBL4348931 | 0.85 | ALDH1A1 (0.56) | MAPTALDH1A1POLBGFERKMT2A | |
| SCHEMBL4341181 | 0.83 | MAPT (0.58) | MAPTALDH1A1POLBGFERKMT2A | |
| SCHEMBL29663729 | 0.82 | MAPT (0.69) | MAPTALDH1A1POLBGFERKMT2A | |
| SCHEMBL4354296 | 0.79 | MEN1 (0.58) | MAPTALDH1A1POLBGFERKMT2A | |
| SCHEMBL4346922 | 0.78 | TP53 (0.69) | MAPTALDH1A1KMT2AMEN1RAB9A | |
| SCHEMBL4347342 | 0.77 | MEN1 (0.59) | MAPTALDH1A1POLBGFERKMT2A | |
| SCHEMBL6228505 | 0.77 | MAPT (0.54) | MAPTALDH1A1POLBGFERKMT2A | |
| SCHEMBL4356336 | 0.76 | KCNMA1 (0.59) | MAPTALDH1A1POLBGFERKMT2A | |
| SCHEMBL4347079 | 0.76 | MAPT (0.49) | MAPTALDH1A1POLBGFERKMT2A | |
| SCHEMBL22279637 | 0.76 | TNIK (0.52) | MAPTALDH1A1POLBGFERKMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100546977-C | Suppress the new compound and the application thereof of rotamase | JERINI AG (DE) | 2009-10-07 | — | — | CN | claimed |
| 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 |