Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | JAK2 | O60674 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.37 |
| ▸ | TSPO | P30536 | 1/20 | 0.37 |
| ▸ | UBE2M | P61081 | 2/20 | 0.36 |
| ▸ | DCUN1D1 | Q96GG9 | 2/20 | 0.36 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4355633 | 0.89 | PDK1 (0.43) | UBE2MDCUN1D1 | |
| SCHEMBL4345516 | 0.81 | ALOX15 (0.48) | GAAKMT2AMEN1HTTTP53 | |
| SCHEMBL4342089 | 0.80 | ALDH1A1 (0.34) | GAAKMT2AMEN1NPC1RAB9A | |
| SCHEMBL4352899 | 0.80 | EGFR (0.41) | KMT2AMEN1ALDH1A1HTTUBE2M | |
| SCHEMBL4345577 | 0.79 | HDAC3 (0.36) | GAAKMT2AMEN1NPC1RAB9A | |
| SCHEMBL4355478 | 0.78 | EGFR (0.43) | NPC1RAB9AALDH1A1HTTUBE2M | |
| SCHEMBL4341341 | 0.78 | RAB9A (0.36) | KMT2AMEN1NPC1RAB9AALDH1A1 | |
| SCHEMBL4351294 | 0.78 | ALDH1A1 (0.39) | GAAKMT2AMEN1NPC1RAB9A | |
| SCHEMBL4359232 | 0.77 | ACHE (0.39) | GAAKMT2AMEN1NPC1RAB9A | |
| SCHEMBL4354386 | 0.77 | CCR2 (0.41) | GAAKMT2AMEN1NPC1RAB9A |
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 |