Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.55 |
| ▸ | MAPT | P10636 | 4/20 | 0.49 |
| ▸ | HPGD | P15428 | 3/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | RORC | P51449 | 1/20 | 0.44 |
| ▸ | MYC | P01106 | 1/20 | 0.44 |
| ▸ | MAX | P61244 | 1/20 | 0.44 |
| ▸ | PPIA | P62937 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 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 | |
|---|---|---|---|---|
| SCHEMBL4345484 | 0.82 | HRAS (0.54) | ALDH1A1KMT2AMAPTHPGDGAA | |
| SCHEMBL4353650 | 0.81 | MAPT (0.63) | ALDH1A1KMT2AMAPTHPGDGAA | |
| SCHEMBL4350936 | 0.80 | KMT2A (0.62) | ALDH1A1KMT2AMAPTHPGDGAA | |
| SCHEMBL4353238 | 0.79 | KMT2A (0.68) | ALDH1A1KMT2AMAPTPOLBMEN1 | |
| SCHEMBL6671061 | 0.76 | KMT2A (0.67) | ALDH1A1KMT2AMAPTPOLBMEN1 | |
| SCHEMBL4341575 | 0.75 | MEN1 (0.59) | ALDH1A1KMT2AMAPTHPGDGAA | |
| SCHEMBL4346971 | 0.75 | PPIA (0.58) | ALDH1A1KMT2AMAPTHPGDGAA | |
| SCHEMBL4345759 | 0.75 | ALDH1A1 (0.51) | ALDH1A1KMT2AMAPTHPGDGAA | |
| SCHEMBL4351941 | 0.75 | MEN1 (0.76) | ALDH1A1KMT2AMAPTHPGDPOLB | |
| SCHEMBL9453927 | 0.75 | ALDH1A1 (0.67) | ALDH1A1KMT2AMAPTHPGDGAA |
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 |