Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR4 | Q13639 | 1/20 | 0.57 |
| ▸ | SMYD3 | Q9H7B4 | 6/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | KHK | P50053 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | UTS2R | Q9UKP6 | 2/20 | 0.45 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.44 |
| ▸ | CDK9 | P50750 | 1/20 | 0.44 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.44 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6824779 | 0.87 | SMYD3 (0.56) | SMYD3MEN1KMT2AUTS2RHDAC8 | |
| SCHEMBL13575477 | 0.83 | HDAC6 (0.55) | HTR4SMYD3KHKNPC1RAB9A | |
| SCHEMBL13575614 | 0.83 | SMYD3 (0.53) | HTR4SMYD3MEN1KMT2AKHK | |
| SCHEMBL1711760 | 0.83 | TAS1R3 (0.57) | SMYD3MEN1KMT2AKHKL3MBTL1 | |
| SCHEMBL10144490 | 0.81 | HTR4 (0.61) | HTR4SMYD3MEN1KMT2AKHK | |
| SCHEMBL1559555 | 0.81 | KMT2A (0.49) | HTR4SMYD3MEN1KMT2AUTS2R | |
| SCHEMBL13575615 | 0.81 | SMYD3 (0.51) | HTR4SMYD3KMT2AKHKNPC1 | |
| SCHEMBL13575536 | 0.80 | TAS1R3 (0.54) | HTR4SMYD3KHKHDAC3HDAC4 | |
| SCHEMBL10078319 | 0.80 | HTR4 (0.60) | HTR4SMYD3 | |
| SCHEMBL13575468 | 0.79 | KHK (0.54) | SMYD3MEN1KMT2AKHKNPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2135608-B1 | S-triazolyl alpha -mercaptoacetanilides as inhibitors of HIV reverse transcriptase | ARDEA BIOSCIENCES INC (US) | 2011-10-12 | — | — | EP | disclosed |