Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 4/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL2199447 | 1.00 | NOS1 (0.49) | NOS1SMN1; SMN2PARP1PARP2BRD4 | |
| SCHEMBL17117210 | 0.84 | SMN1; SMN2 (0.41) | NOS1SMN1; SMN2BRD4ALDH1A1MAPT | |
| SCHEMBL14251056 | 0.83 | NOS1 (0.49) | NOS1SMN1; SMN2PARP1PARP2BRD4 | |
| SCHEMBL29410544 | 0.82 | MAPT (0.40) | NOS1ALDH1A1MAPTKMT2AUSP2 | |
| SCHEMBL12696878 | 0.82 | DDB1 (0.40) | NOS1SMN1; SMN2PARP1PARP2ALDH1A1 | |
| SCHEMBL10242198 | 0.81 | CHRNB2 (0.53) | SMN1; SMN2ALDH1A1MAPTKDM4EGAA | |
| SCHEMBL19587006 | 0.80 | ALDH1A1 (0.40) | SMN1; SMN2PARP1PARP2BRD4ALDH1A1 | |
| SCHEMBL27898379 | 0.80 | CYP19A1 (0.41) | NOS1PARP1PARP2MAPTKMT2A | |
| SCHEMBL31324258 | 0.80 | ESR2 (0.44) | NOS1PARP1PARP2ALDH1A1KDM4E | |
| SCHEMBL27761702 | 0.80 | NOTUM (0.37) | NOS1PARP1PARP2MAPTGAA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017162133-A1 | COMPOUND HAVING MUTANT IDH INHIBITORY ACTIVITY, PREPARATION METHOD AND USE THEREOF | 上海海和药物研究开发有限公司 | 2017-09-28 | — | — | WO | disclosed |
| WO-2012057709-A1 | NOVEL PHASE TRANSFER CATALYSTS | NATIONAL UNIVERSITY OF SINGAPORE (SG) | 2012-05-03 | — | — | WO | disclosed |
| EP-2415759-A1 | CETP inhibitors | Merck Sharp & Dohme Corporation (US) | 2012-02-08 | — | — | EP | disclosed |
| US-20100099716-A1 | CETP INHIBITORS | MERCK SHARP & DOHME LLC | 2010-04-22 | — | — | 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-20100099716-A1 | CETP INHIBITORS | CETP, APOB, MTTP | NOS1 2941/4885SMN1; SMN2 4859/4885PARP1 1364/4885 |
“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.