Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.55 |
| ▸ | USP2 | O75604 | 2/20 | 0.55 |
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | RAB9A | P51151 | 2/20 | 0.54 |
| ▸ | HPGD | P15428 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL17476862 | 0.87 | ALDH1A1 (0.54) | HTR2CALDH1A1SMN1; SMN2USP2TSHR | |
| SCHEMBL29542631 | 0.87 | ALDH1A1 (0.57) | ALDH1A1TSHRHPGDPOLB | |
| SCHEMBL2444405 | 0.86 | ALDH1A1 (0.70) | HTR2CALDH1A1SMN1; SMN2USP2HPGD | |
| SCHEMBL4434645 | 0.86 | ALDH1A1 (0.70) | HTR2CALDH1A1SMN1; SMN2USP2HPGD | |
| SCHEMBL2447403 | 0.86 | ALDH1A1 (0.73) | HTR2CALDH1A1SMN1; SMN2TSHRRAB9A | |
| SCHEMBL13745623 | 0.86 | HTR2C (0.53) | HTR2CALDH1A1SMN1; SMN2USP2RAB9A | |
| Hydrochloric Acid SCHEMBL694838 | 0.85 | HTR2C (0.52) | HTR2CALDH1A1SMN1; SMN2USP2TSHR | |
| SCHEMBL10195738 | 0.84 | ALDH1A1 (0.66) | ALDH1A1SMN1; SMN2USP2TSHRRAB9A | |
| SCHEMBL29542019 | 0.84 | HTR2C (0.53) | HTR2CALDH1A1SMN1; SMN2USP2HPGD | |
| SCHEMBL21541003 | 0.83 | HTR2C (0.62) | HTR2CALDH1A1SMN1; SMN2USP2HPGD |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2600874-A1 | PYRIMIDINE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE | Amgen, Inc (US) | 2013-06-12 | — | — | EP | disclosed |
| WO-2011143033-A1 | PYRIMIDINE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE | AMGEN INC. (US) | 2011-11-17 | — | — | WO | disclosed |
| EP-2362775-A1 | CHEMICAL COMPOUNDS | GlaxoSmithKline LLC (US) | 2011-09-07 | — | — | EP | disclosed |