Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR2 | P41597 | 2/20 | 0.75 |
| ▸ | NPC1 | O15118 | 14/20 | 0.74 |
| ▸ | RAB9A | P51151 | 14/20 | 0.74 |
| ▸ | KMT2A | Q03164 | 9/20 | 0.74 |
| ▸ | MEN1 | O00255 | 7/20 | 0.74 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.74 |
| ▸ | POLB | P06746 | 2/20 | 0.74 |
| ▸ | MAPT | P10636 | 5/20 | 0.68 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.68 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.68 |
| ▸ | RELA | Q04206 | 1/20 | 0.68 |
| ▸ | LMNA | P02545 | 2/20 | 0.67 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.67 |
| ▸ | HTT | P42858 | 1/20 | 0.64 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.58 |
| ▸ | ATM | Q13315 | 1/20 | 0.58 |
| ▸ | MAOB | P27338 | 1/20 | 0.58 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.58 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL4347965 | 0.89 | NPC1 (0.74) | CCR2NPC1RAB9AKMT2AMEN1 | |
| SCHEMBL107421 | 0.86 | RAB9A (1.00) | NPC1RAB9AKMT2AMEN1SMN1; SMN2 | |
| SCHEMBL4345510 | 0.84 | RAB9A (0.75) | CCR2NPC1RAB9AKMT2AMEN1 | |
| SCHEMBL4359226 | 0.83 | RAB9A (0.74) | NPC1RAB9AKMT2AMEN1SMN1; SMN2 | |
| SCHEMBL12692443 | 0.82 | RAB9A (1.00) | NPC1RAB9AKMT2AMEN1SMN1; SMN2 | |
| SCHEMBL4355476 | 0.80 | NPC1 (0.73) | NPC1RAB9AKMT2AMEN1SMN1; SMN2 | |
| SCHEMBL4352892 | 0.80 | RAB9A (0.67) | NPC1RAB9AKMT2AMEN1SMN1; SMN2 | |
| SCHEMBL6250181 | 0.79 | NPC1 (0.72) | CCR2NPC1RAB9AKMT2AMEN1 | |
| SCHEMBL4342210 | 0.79 | NPC1 (0.59) | CCR2NPC1RAB9AKMT2AMEN1 | |
| SCHEMBL12010919 | 0.79 | RAB9A (0.84) | NPC1RAB9AKMT2AMEN1SMN1; SMN2 |
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 |