Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 2/20 | 0.58 |
| ▸ | CNR1 | P21554 | 6/20 | 0.55 |
| ▸ | NPC1 | O15118 | 3/20 | 0.55 |
| ▸ | RAB9A | P51151 | 3/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.55 |
| ▸ | MEN1 | O00255 | 4/20 | 0.55 |
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL4351106 | 0.87 | CNR1 (0.68) | EPHX1CNR1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL4350105 | 0.86 | MAPT (0.55) | NPC1RAB9ASMN1; SMN2KMT2AMEN1 | |
| SCHEMBL4341765 | 0.83 | KMT2A (0.54) | EPHX1CNR1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL4353910 | 0.82 | CNR1 (0.52) | EPHX1CNR1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL27761078 | 0.81 | EPHX2 (0.51) | EPHX1NPC1RAB9AKMT2AMEN1 | |
| SCHEMBL4357505 | 0.81 | CNR1 (0.60) | EPHX1CNR1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL4351157 | 0.80 | EPHX2 (0.56) | EPHX1KMT2AMEN1MAPTALDH1A1 | |
| SCHEMBL6568451 | 0.79 | KDM4E (0.69) | EPHX1CNR1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL4357501 | 0.79 | CNR1 (0.57) | EPHX1CNR1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL4354116 | 0.79 | NPC1 (0.58) | NPC1RAB9AKMT2AMEN1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| WO-2004030664-A2 | NEW COMPOUNDS FOR THE INHIBITION OF UNDESIRED CELL PROLIFERATION AND USE THEREOF | JERINI AG (DE) | 2004-04-15 | — | — | WO | claimed |
| EP-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | disclosed |