Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.34 |
| ▸ | LDHA | P00338 | 1/20 | 0.34 |
| ▸ | LDHB | P07195 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CTRB1 | P17538 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | ALB | P02768 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | RARB | P10826 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4494581 | 0.86 | ESR1 (0.38) | TAAR1MEN1KMT2ANPC1RAB9A | |
| SCHEMBL4485668 | 0.81 | ALDH1A1 (0.39) | — | |
| SCHEMBL4504872 | 0.80 | LDHA (0.38) | TAAR1MEN1KMT2ANPC1RAB9A | |
| SCHEMBL4490045 | 0.79 | PPARG (0.42) | MEN1KMT2ARAB9ALDHACYP1A2 | |
| SCHEMBL4504906 | 0.78 | MEN1 (0.45) | MEN1KMT2ANPC1RAB9A | |
| SCHEMBL4481909 | 0.77 | KDM4E (0.40) | TAAR1MEN1KMT2ANPC1RAB9A | |
| SCHEMBL4559834 | 0.77 | PPARG (0.41) | MEN1KMT2ANPC1RAB9AALOX5 | |
| SCHEMBL4485206 | 0.77 | ALDH1A1 (0.32) | TAAR1MEN1KMT2ANPC1RAB9A | |
| SCHEMBL4491379 | 0.65 | FBP1 (0.34) | KMT2ALDHALDHB | |
| SCHEMBL4492326 | 0.65 | RAB9A (0.51) | MEN1KMT2ANPC1RAB9ALMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-7504429-B2 | Tyrosine kinase inhibitors | MERCK & CO., INC. (US) | 2009-03-17 | — | — | US | claimed |