Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.47 |
| ▸ | CTSA | P10619 | 2/20 | 0.45 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.41 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | PRNP | P04156 | 1/20 | 0.39 |
| ▸ | MIF | P14174 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2445721 | 0.83 | CYP1A2 (0.54) | HDAC3HDAC1HDAC2CTSANPC1 | |
| SCHEMBL1460111 | 0.82 | KMT2A (0.57) | NPC1RAB9AALDH1A1MEN1KMT2A | |
| Ethyl Acetate SCHEMBL29178560 | 0.78 | CTSA (0.45) | HDAC3HDAC1HDAC2CTSACYP1A2 | |
| SCHEMBL12600053 | 0.76 | HDAC3 (0.48) | HDAC3HDAC1HDAC2NPC1RAB9A | |
| SCHEMBL327145 | 0.75 | ALDH1A1 (0.46) | HDAC3HDAC1HDAC2CTSANCOA1 | |
| SCHEMBL509677 | 0.74 | POLB (0.52) | NPC1RAB9ACYP1A2CYP3A4MEN1 | |
| SCHEMBL3943579 | 0.74 | P2RX7 (0.54) | NPC1RAB9ACYP1A2ALDH1A1MEN1 | |
| SCHEMBL10201993 | 0.73 | CTSA (0.45) | HDAC3HDAC1HDAC2CTSAALDH1A1 | |
| SCHEMBL11626200 | 0.73 | SIRT3 (0.51) | NCOA1NCOA3CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL102135 | 0.73 | P2RX7 (0.50) | NCOA1NCOA3NPC1RAB9ACYP1A2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6831075-B2 | Administering to a host for inhibiting kinase activity a 5-heterocylcic subustituted pyrazolone derivative | CEPHALON, INC. | 2004-12-14 | — | — | US | disclosed |
| US-20030162775-A1 | Heterocyclic substituted pyrazolones | CEPHALON, INC. | 2003-08-28 | — | — | US | disclosed |
| US-6455525-B1 | Heterocyclic substituted pyrazolones | CEPHALON, INC. | 2002-09-24 | — | — | US | disclosed |
| EP-1226141-A1 | HETEROCYCLIC SUBSTITUTED PYRAZOLONES | CEPHALON, INC. (US) | 2002-07-31 | — | — | EP | disclosed |
| WO-2001032653-A1 | HETEROCYCLIC SUBSTITUTED PYRAZOLONES | CEPHALON, INC. (US) | 2001-05-10 | — | — | WO | 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-20030162775-A1 | Heterocyclic substituted pyrazolones | CYP3A4, CYP3A5, PDXK | HDAC3 1007/4885HDAC1 2858/4885HDAC2 2703/4885 |
“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.