Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | MMP13 | P45452 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.50 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.49 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL4594693 | 1.00 | TAAR1 (0.57) | TAAR1ALDH1A1HTTSMN1; SMN2MMP13 | |
| SCHEMBL7511969 | 0.86 | TAAR1 (0.58) | TAAR1ALDH1A1HTTSMN1; SMN2MMP13 | |
| SCHEMBL11284221 | 0.86 | TAAR1 (0.58) | TAAR1ALDH1A1HTTSMN1; SMN2MMP13 | |
| SCHEMBL8953537 | 0.86 | TAAR1 (0.58) | TAAR1ALDH1A1HTTSMN1; SMN2MMP13 | |
| SCHEMBL28019828 | 0.86 | TAAR1 (0.58) | TAAR1ALDH1A1HTTSMN1; SMN2MMP13 | |
| SCHEMBL1368547 | 0.86 | TAAR1 (0.58) | TAAR1ALDH1A1HTTSMN1; SMN2MMP13 | |
| SCHEMBL8953310 | 0.85 | TAAR1 (0.51) | TAAR1ALDH1A1MEN1KMT2AMTNR1A | |
| SCHEMBL8802456 | 0.84 | TAAR1 (0.61) | TAAR1ALDH1A1HTTSMN1; SMN2MMP13 | |
| SCHEMBL13085569 | 0.83 | ELANE (0.43) | TAAR1ALDH1A1 | |
| SCHEMBL8953540 | 0.83 | PPARA (0.50) | TAAR1MEN1KMT2AHIF1A |
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 |
|---|---|---|---|---|---|---|---|
| CN-104725397-A | Thienopyrimidine derivatives, a process for their preparation and pharmaceutical compositions containing them | SERVIER LAB | 2015-06-24 | — | — | CN | disclosed |