Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.53 |
| ▸ | CALM1 | P0DP23 | 2/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.50 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.50 |
| ▸ | MAOA | P21397 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL27901932 | 0.91 | TAAR1 (0.56) | TAAR1CALM1MAOAMAOBCYP3A4 | |
| SCHEMBL669226 | 0.81 | CYP3A4 (0.59) | TAAR1CALM1CYP3A4CYP1A2MAPT | |
| SCHEMBL108050 | 0.80 | CALM1 (0.72) | TAAR1CALM1HDAC1HDAC3HDAC6 | |
| SCHEMBL7235100 | 0.80 | TAAR1 (0.57) | TAAR1CALM1HDAC1HDAC3HDAC6 | |
| SCHEMBL230807 | 0.78 | HDAC1 (0.57) | TAAR1CALM1HDAC1HDAC3HDAC6 | |
| SCHEMBL27611447 | 0.77 | HDAC1 (0.56) | TAAR1CALM1HDAC1HDAC3HDAC6 | |
| SCHEMBL9689020 | 0.77 | TAAR1 (0.50) | TAAR1CALM1HDAC1HDAC3HDAC6 | |
| SCHEMBL108087 | 0.76 | TAAR1 (0.77) | TAAR1CALM1CYP3A4CYP1A2MAPT | |
| SCHEMBL5073586 | 0.76 | HDAC1 (0.53) | TAAR1CALM1HDAC1HDAC3HDAC6 | |
| SCHEMBL869843 | 0.76 | TAAR1 (0.61) | TAAR1CALM1HDAC1HDAC3HDAC6 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1178912-C | Small molecule inhibitors of rotamase enzyme activity | ������˹ҩƷ��˾ | 2004-12-08 | — | — | CN | disclosed |
| CN-1542001-A | Small molecule inhibitors of rotamase enzyme activity | GPI����عɹ�˾ | 2004-11-03 | — | — | CN | disclosed |