Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.59 |
| ▸ | RAB9A | P51151 | 3/20 | 0.59 |
| ▸ | CNR1 | P21554 | 3/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.59 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.59 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.59 |
| ▸ | MEN1 | O00255 | 1/20 | 0.59 |
| ▸ | MAPT | P10636 | 1/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.59 |
| ▸ | CA2 | P00918 | 5/20 | 0.58 |
| ▸ | CA12 | O43570 | 4/20 | 0.57 |
| ▸ | CA1 | P00915 | 4/20 | 0.57 |
| ▸ | CA9 | Q16790 | 4/20 | 0.57 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.54 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.54 |
| ▸ | FPR2 | P25090 | 1/20 | 0.52 |
| ▸ | PRMT3 | O60678 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL4347380 | 0.85 | CA1 (0.56) | NPC1RAB9ASMN1; SMN2MEN1MAPT | |
| SCHEMBL4347762 | 0.83 | NPC1 (0.59) | NPC1RAB9ACNR1SMN1; SMN2HDAC1 | |
| SCHEMBL4351106 | 0.83 | CNR1 (0.68) | NPC1RAB9ACNR1SMN1; SMN2HDAC1 | |
| SCHEMBL4350009 | 0.83 | RAB9A (0.68) | NPC1RAB9ASMN1; SMN2MEN1MAPT | |
| SCHEMBL4606056 | 0.81 | EPHX1 (0.81) | NPC1RAB9ACNR1SMN1; SMN2HDAC1 | |
| SCHEMBL4897395 | 0.81 | CNR1 (0.74) | NPC1RAB9ACNR1SMN1; SMN2HDAC1 | |
| SCHEMBL28408741 | 0.80 | KMT2A (0.71) | NPC1RAB9ACNR1SMN1; SMN2HDAC1 | |
| SCHEMBL8131908 | 0.79 | NPC1 (0.62) | NPC1RAB9ACNR1SMN1; SMN2HDAC1 | |
| SCHEMBL22588919 | 0.78 | KMT2A (0.72) | NPC1RAB9ACNR1SMN1; SMN2HDAC1 | |
| SCHEMBL4350351 | 0.78 | SMN1; SMN2 (0.63) | NPC1RAB9ASMN1; SMN2MEN1MAPT |
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 |