Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTOR | P42345 | 4/20 | 0.67 |
| ▸ | NAMPT | P43490 | 2/20 | 0.60 |
| ▸ | PRMT3 | O60678 | 1/20 | 0.54 |
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.52 |
| ▸ | CNR1 | P21554 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.46 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4348348 | 0.85 | MTOR (0.69) | MTORNAMPTPRMT3TRPV1CNR1 | |
| SCHEMBL4353993 | 0.84 | MTOR (0.67) | MTORNAMPTPRMT3TRPV1CNR1 | |
| SCHEMBL4351636 | 0.84 | MEN1 (0.61) | MTORMEN1KMT2ALMNASMN1; SMN2 | |
| SCHEMBL4348910 | 0.83 | EPHX2 (0.69) | MTORTRPV1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL4347380 | 0.82 | CA1 (0.56) | NAMPTMEN1KMT2ASMN1; SMN2CA1 | |
| SCHEMBL28808075 | 0.79 | MTOR (0.76) | MTORNAMPTPRMT3MEN1KMT2A | |
| SCHEMBL26625460 | 0.79 | MTOR (0.71) | MTORNAMPTPRMT3TRPV1MEN1 | |
| SCHEMBL6668636 | 0.79 | MTOR (0.48) | MTORNAMPTCNR1MCHR1EPHX2 | |
| SCHEMBL4347646 | 0.78 | MTOR (0.70) | MTORNAMPTPRMT3TRPV1CNR1 | |
| SCHEMBL24575984 | 0.78 | MTOR (0.69) | MTORNAMPTPRMT3TRPV1MEN1 |
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 |