Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 6/20 | 0.68 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.68 |
| ▸ | NPC1 | O15118 | 3/20 | 0.68 |
| ▸ | RAB9A | P51151 | 3/20 | 0.68 |
| ▸ | MEN1 | O00255 | 3/20 | 0.67 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.67 |
| ▸ | MAPT | P10636 | 2/20 | 0.67 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.59 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | HTT | P42858 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.56 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL6568451 | 0.92 | KDM4E (0.69) | CNR1SMN1; SMN2NPC1RAB9AMEN1 | |
| SCHEMBL4357505 | 0.91 | CNR1 (0.60) | CNR1SMN1; SMN2NPC1RAB9AMEN1 | |
| SCHEMBL4357501 | 0.89 | CNR1 (0.57) | CNR1SMN1; SMN2NPC1RAB9AMEN1 | |
| SCHEMBL6568654 | 0.89 | CNR1 (0.60) | CNR1SMN1; SMN2NPC1RAB9AMEN1 | |
| SCHEMBL4349474 | 0.87 | EPHX1 (0.58) | CNR1SMN1; SMN2NPC1RAB9AMEN1 | |
| SCHEMBL6250660 | 0.86 | CNR1 (0.52) | CNR1SMN1; SMN2NPC1RAB9AMEN1 | |
| SCHEMBL4341839 | 0.86 | CNR1 (0.68) | CNR1SMN1; SMN2NPC1RAB9AMEN1 | |
| SCHEMBL4350061 | 0.85 | MTOR (0.55) | SMN1; SMN2NPC1RAB9AMEN1KMT2A | |
| SCHEMBL6567300 | 0.84 | RAB9A (0.60) | CNR1SMN1; SMN2NPC1RAB9AMEN1 | |
| SCHEMBL6521859 | 0.84 | NPC1 (0.58) | CNR1SMN1; SMN2NPC1RAB9AMEN1 |
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 5 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-1402887-A1 | New compounds for the inhibition of undesired cell proliferation and use thereof | Jerini AG (DE) | 2004-03-31 | — | — | EP | claimed |
| EP-1402888-A1 | The use of substituted carbocyclic compounds as rotamases inhibitors | Jerini AG (DE) | 2004-03-31 | — | — | EP | claimed |
| EP-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | disclosed |