Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 14/20 | 0.76 |
| ▸ | RAB9A | P51151 | 14/20 | 0.76 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.67 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.67 |
| ▸ | MEN1 | O00255 | 5/20 | 0.67 |
| ▸ | POLB | P06746 | 2/20 | 0.67 |
| ▸ | ATM | Q13315 | 1/20 | 0.63 |
| ▸ | MAPT | P10636 | 4/20 | 0.62 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.62 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.62 |
| ▸ | RELA | Q04206 | 1/20 | 0.62 |
| ▸ | GAA | P10253 | 1/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.60 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.59 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL4355630 | 0.87 | NPC1 (0.70) | NPC1RAB9AKMT2ASMN1; SMN2MEN1 | |
| SCHEMBL16946642 | 0.85 | RAB9A (0.81) | NPC1RAB9AKMT2ASMN1; SMN2MEN1 | |
| SCHEMBL107421 | 0.82 | RAB9A (1.00) | NPC1RAB9AKMT2ASMN1; SMN2MEN1 | |
| SCHEMBL14363317 | 0.78 | NPC1 (0.67) | NPC1RAB9AKMT2ASMN1; SMN2MEN1 | |
| SCHEMBL12692443 | 0.77 | RAB9A (1.00) | NPC1RAB9AKMT2ASMN1; SMN2MEN1 | |
| SCHEMBL4345510 | 0.77 | RAB9A (0.75) | NPC1RAB9AKMT2ASMN1; SMN2MEN1 | |
| SCHEMBL4554969 | 0.76 | NPC1 (0.74) | NPC1RAB9AKMT2ASMN1; SMN2MEN1 | |
| SCHEMBL13923629 | 0.76 | NPC1 (0.81) | NPC1RAB9AKMT2ASMN1; SMN2MEN1 | |
| SCHEMBL4352892 | 0.76 | RAB9A (0.67) | NPC1RAB9AKMT2ASMN1; SMN2MEN1 | |
| SCHEMBL4354382 | 0.76 | CCR2 (0.75) | NPC1RAB9AKMT2ASMN1; SMN2MEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |