Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 6/20 | 0.57 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
| ▸ | KLK1 | P06870 | 1/20 | 0.38 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.38 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.37 |
| ▸ | FDPS | P14324 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11357644 | 0.87 | TAAR1 (0.61) | TAAR1HTR1AGAASMN1; SMN2NPC1 | |
| SCHEMBL7019374 | 0.84 | TAAR1 (0.57) | TAAR1HTR1AGAASMN1; SMN2NPC1 | |
| Hydrochloric Acid SCHEMBL9853948 | 0.84 | TAAR1 (0.62) | TAAR1HTR1AGAASMN1; SMN2NPC1 | |
| SCHEMBL13372830 | 0.82 | TAAR1 (0.80) | TAAR1HTR1ASMN1; SMN2ALDH1A1ADRA2A | |
| SCHEMBL6746541 | 0.80 | ALDH1A1 (0.60) | TAAR1HTR1AGAASMN1; SMN2NPC1 | |
| SCHEMBL10999093 | 0.79 | TAAR1 (0.55) | TAAR1HTR1AGAASMN1; SMN2RAB9A | |
| SCHEMBL9416067 | 0.79 | TAAR1 (0.64) | TAAR1HTR1AGAASMN1; SMN2TBXAS1 | |
| SCHEMBL6323409 | 0.78 | TAAR1 (0.67) | TAAR1HTR1AADRA2AADRA2BADRA2C | |
| SCHEMBL2870029 | 0.78 | TAAR1 (0.67) | TAAR1HTR1AADRA2AADRA2BADRA2C | |
| SCHEMBL10674026 | 0.77 | TAAR1 (0.49) | TAAR1HTR1AGAASMN1; SMN2NPC1 |
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-1599202-A1 | TETRACYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM | Pharmacia Italia S.p.A. (IT) | 2005-11-30 | — | — | EP | disclosed |
| WO-2004071507-A1 | TETRACYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM | PHARMACIA ITALIA S.P.A. (IT) | 2004-08-26 | — | — | WO | disclosed |