Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.50 |
| ▸ | PPIA | P62937 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 5/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.49 |
| ▸ | MAPT | P10636 | 6/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 4/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.45 |
| ▸ | EGFR | P00533 | 1/20 | 0.45 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.44 |
| ▸ | ABAT | P80404 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL5454028 | 0.86 | PPIA (0.67) | ALDH1A1PPIAMEN1KMT2AMAPT | |
| SCHEMBL4345759 | 0.82 | ALDH1A1 (0.51) | ALDH1A1PPIAMEN1KMT2AMAPT | |
| SCHEMBL4353650 | 0.80 | MAPT (0.63) | ALDH1A1PPIAMEN1KMT2AMAPT | |
| SCHEMBL18268223 | 0.79 | ALDH1A1 (0.51) | ALDH1A1MAPTHPGDSMN1; SMN2HTT | |
| SCHEMBL4346971 | 0.79 | PPIA (0.58) | ALDH1A1PPIAMEN1KMT2AMAPT | |
| SCHEMBL28529066 | 0.78 | MAPK1 (0.53) | ALDH1A1PPIAMEN1KMT2AMAPT | |
| SCHEMBL27479406 | 0.78 | ALDH1A1 (0.69) | ALDH1A1MEN1KMT2AMAPTNPSR1 | |
| SCHEMBL4344002 | 0.78 | PPIA (0.56) | ALDH1A1PPIAMEN1KMT2AMAPT | |
| SCHEMBL4345605 | 0.76 | HTT (0.54) | ALDH1A1PPIAMEN1KMT2AMAPT | |
| SCHEMBL4344460 | 0.76 | MEN1 (0.57) | ALDH1A1MEN1KMT2AMAPTNPSR1 |
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 |