Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | DHFR | P00374 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | CACNA1G | O43497 | 2/20 | 0.42 |
| ▸ | CACNA1H | O95180 | 2/20 | 0.42 |
| ▸ | CACNA1I | Q9P0X4 | 2/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL24690105 | 0.88 | ADORA3 (0.47) | NPC1RAB9ASMN1; SMN2ADORA3MEN1 | |
| SCHEMBL9917422 | 0.86 | HDAC6 (0.54) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL24690106 | 0.81 | HSP90AA1 (0.44) | RAB9ASMN1; SMN2KMT2AALDH1A1MAPT | |
| SCHEMBL8553183 | 0.81 | ADORA2A (0.48) | NPC1RAB9ASMN1; SMN2ERBB2ADORA3 | |
| SCHEMBL1128943 | 0.81 | HDAC8 (0.50) | SMN1; SMN2ERBB2ADORA3MEN1KMT2A | |
| SCHEMBL17602097 | 0.81 | ESR2 (0.56) | ERBB2ADORA3KDM4CALDH1A1LMNA | |
| SCHEMBL14327125 | 0.81 | ERBB2 (0.45) | NPC1RAB9ASMN1; SMN2ERBB2ADORA3 | |
| SCHEMBL17602073 | 0.81 | MAPT (0.54) | NPC1RAB9ASMN1; SMN2ERBB2MEN1 | |
| SCHEMBL12449554 | 0.81 | ERBB2 (0.45) | NPC1RAB9ASMN1; SMN2ERBB2ADORA3 | |
| SCHEMBL15687224 | 0.80 | HDAC6 (0.45) | NPC1RAB9ASMN1; SMN2ERBB2ADORA3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011058149-A1 | TRICYCLIC PYRAZOL AMINE DERIVATIVES | MERCK SERONO S.A. (CH) | 2011-05-19 | — | — | WO | disclosed |