Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTOR | P42345 | 4/20 | 0.62 |
| ▸ | PRMT3 | O60678 | 2/20 | 0.56 |
| ▸ | NAMPT | P43490 | 4/20 | 0.56 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 2/20 | 0.49 |
| ▸ | CA2 | P00918 | 2/20 | 0.49 |
| ▸ | CA9 | Q16790 | 2/20 | 0.49 |
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
| ▸ | CA7 | P43166 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.47 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.47 |
| ▸ | CNR1 | P21554 | 1/20 | 0.45 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.44 |
| ▸ | ERCC4 | Q92889 | 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 | |
|---|---|---|---|---|
| SCHEMBL4341575 | 0.88 | MEN1 (0.59) | MTORGAAMEN1KMT2A | |
| SCHEMBL4347085 | 0.87 | CA12 (0.61) | MTORGAACA1CA2CA9 | |
| SCHEMBL4354177 | 0.84 | MEN1 (0.57) | PRMT3NAMPTATG4BGAACA1 | |
| SCHEMBL4347646 | 0.82 | MTOR (0.70) | MTORPRMT3NAMPTCA1CA2 | |
| SCHEMBL4348431 | 0.81 | MTOR (0.68) | MTORPRMT3NAMPTCA1CA2 | |
| SCHEMBL5906319 | 0.81 | MTOR (0.59) | MTORPRMT3NAMPTATG4BCA1 | |
| SCHEMBL4345484 | 0.78 | HRAS (0.54) | GAACA1CA2CA9CA12 | |
| SCHEMBL4341578 | 0.77 | POLB (0.43) | MTORATG4BCA1CA2CA12 | |
| SCHEMBL6672203 | 0.76 | MEN1 (0.56) | NAMPTCA1CA2CA9CA12 | |
| SCHEMBL26625460 | 0.76 | MTOR (0.71) | MTORPRMT3NAMPTMEN1KMT2A |
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 |