Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | BMP1 | P13497 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | FLT3 | P36888 | 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 | |
|---|---|---|---|---|
| SCHEMBL15219278 | 0.82 | CXCR4 (0.40) | LMNASIGMAR1CYP2D6ALDH1A1CYP1A2 | |
| Hydrochloric Acid SCHEMBL17092836 | 0.81 | LMNA (0.41) | LMNASIGMAR1CYP2D6ALDH1A1CYP1A2 | |
| SCHEMBL23277812 | 0.80 | KCNH2 (0.36) | SIGMAR1CYP2D6ALDH1A1BMP1AURKA | |
| SCHEMBL12449661 | 0.79 | LMNA (0.46) | LMNAHPGDALDH1A1KDM4ECYP2C19 | |
| SCHEMBL12393 | 0.79 | LMNA (0.46) | LMNAHPGDALDH1A1KDM4ECYP2C19 | |
| SCHEMBL14034348 | 0.77 | BMP1 (0.45) | NPC1RAB9ASMN1; SMN2LMNAHPGD | |
| SCHEMBL14006362 | 0.77 | TSHR (0.41) | NPC1RAB9ASMN1; SMN2LMNAHPGD | |
| SCHEMBL18082908 | 0.77 | MEN1 (0.42) | RAB9ALMNAMAPK1ALDH1A1KDM4E | |
| SCHEMBL7319086 | 0.73 | TP53 (0.42) | NPC1RAB9ASMN1; SMN2MAPK1CYP2D6 | |
| SCHEMBL16400418 | 0.73 | BIRC2 (0.36) | CYP2D6AURKACYP2C9FLT3KCNH2 |
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 |