Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC2 | Q92769 | 1/20 | 0.64 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.64 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.60 |
| ▸ | GAA | P10253 | 1/20 | 0.60 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.60 |
| ▸ | PPARG | P37231 | 1/20 | 0.59 |
| ▸ | POLB | P06746 | 2/20 | 0.57 |
| ▸ | CFD | P00746 | 1/20 | 0.57 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.57 |
| ▸ | HTT | P42858 | 3/20 | 0.56 |
| ▸ | HPGD | P15428 | 2/20 | 0.55 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.55 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | NPC1 | O15118 | 2/20 | 0.54 |
| ▸ | RAB9A | P51151 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL308230 | 0.86 | CFD (0.59) | HDAC2HDAC8HDAC6PPARGCFD | |
| SCHEMBL23014402 | 0.86 | HDAC2 (0.50) | HDAC2HDAC8HDAC6ALDH1A1GAA | |
| SCHEMBL22047184 | 0.84 | PPARG (0.78) | HDAC2HDAC8HDAC6ALDH1A1GAA | |
| SCHEMBL11900328 | 0.84 | HDAC6 (0.87) | HDAC2HDAC8HDAC6ALDH1A1GAA | |
| SCHEMBL14044800 | 0.83 | HDAC2 (0.69) | HDAC2HDAC8HDAC6ALDH1A1GAA | |
| SCHEMBL6175213 | 0.81 | SLC7A5 (0.56) | HDAC8HDAC6ROCK2CYP3A4CYP2C19 | |
| SCHEMBL6581113 | 0.81 | ALDH1A1 (0.54) | ALDH1A1GAAROCK2CYP3A4HTT | |
| SCHEMBL1696365 | 0.81 | HDAC6 (0.66) | HDAC2HDAC8HDAC6ALDH1A1GAA | |
| SCHEMBL25718860 | 0.80 | ROCK2 (0.75) | ROCK2CYP3A4 | |
| SCHEMBL10084687 | 0.80 | NPC1 (0.73) | HDAC2HDAC8HDAC6ALDH1A1GAA |
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 |
|---|---|---|---|---|---|---|---|
| US-20170166560-A1 | FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-06-15 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20170166560-A1 | FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS | F12, F11, F5 | HDAC2 1245/4885HDAC8 1022/4885HDAC6 2076/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.