Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | ROCK2 | O75116 | 9/20 | 0.48 |
| ▸ | ROCK1 | Q13464 | 8/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL16005903 | 1.00 | NPC1 (0.56) | NPC1ALDH1A1KMT2ALMNAMEN1 | |
| SCHEMBL15994445 | 0.81 | NPC1 (0.60) | NPC1ALDH1A1KMT2ALMNAMEN1 | |
| SCHEMBL16005928 | 0.81 | NPC1 (0.60) | NPC1ALDH1A1KMT2ALMNAMEN1 | |
| SCHEMBL15994411 | 0.81 | ROCK2 (0.62) | NPC1ALDH1A1KMT2ALMNAMEN1 | |
| SCHEMBL17439825 | 0.80 | KMT2A (0.64) | NPC1ALDH1A1KMT2ALMNAMEN1 | |
| SCHEMBL16005895 | 0.80 | KMT2A (0.64) | NPC1ALDH1A1KMT2ALMNAMEN1 | |
| SCHEMBL16005920 | 0.79 | ROCK2 (0.62) | NPC1ALDH1A1KMT2ALMNAMEN1 | |
| SCHEMBL18685285 | 0.79 | ROCK2 (0.62) | NPC1ALDH1A1KMT2ALMNAMEN1 | |
| SCHEMBL2171122 | 0.79 | NPC1 (0.68) | NPC1ALDH1A1KMT2ALMNAMEN1 | |
| SCHEMBL6174893 | 0.79 | NPC1 (0.68) | NPC1ALDH1A1KMT2ALMNAMEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2961745-B1 | PHENYLPYRAZOLE DERIVATIVES AS POTENT ROCK1 AND ROCK2 INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-03-29 | — | — | EP | disclosed |
| US-9458110-B2 | Phenylpyrazole derivatives as potent ROCK1 and ROCK2 inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2016-10-04 | — | — | US | disclosed |
| US-20160016910-A1 | PHENYLPYRAZOLE DERIVATIVES AS POTENT ROCK1 AND ROCK2 INHIBITORS | BRISTOL-MEYERS SQUIBB COMPANY (US) | 2016-01-21 | — | — | 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-20160016910-A1 | PHENYLPYRAZOLE DERIVATIVES AS POTENT ROCK1 AND ROCK2 INHIBITORS | ROCK1, ROCK2, MYLK | NPC1 4190/4885ALDH1A1 2675/4885KMT2A 1584/4885 |
“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.