Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.64 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.58 |
| ▸ | PKM | P14618 | 3/20 | 0.57 |
| ▸ | GAA | P10253 | 1/20 | 0.57 |
| ▸ | CA1 | P00915 | 2/20 | 0.57 |
| ▸ | CA2 | P00918 | 2/20 | 0.57 |
| ▸ | MMP1 | P03956 | 1/20 | 0.57 |
| ▸ | MMP2 | P08253 | 1/20 | 0.57 |
| ▸ | MMP9 | P14780 | 1/20 | 0.57 |
| ▸ | MMP8 | P22894 | 1/20 | 0.57 |
| ▸ | MMP13 | P45452 | 1/20 | 0.57 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.48 |
| ▸ | NEK1 | Q96PY6 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | F2 | P00734 | 1/20 | 0.47 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.47 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL7621847 | 0.90 | ALDH1A1 (0.75) | ALDH1A1CYP2C19PKMGAACA1 | |
| SCHEMBL7624023 | 0.84 | ALDH1A1 (0.68) | ALDH1A1CYP2C19PKMGAAMMP1 | |
| SCHEMBL3377119 | 0.81 | ALDH1A1 (0.66) | ALDH1A1CYP2C19PKMGAACA1 | |
| SCHEMBL3279019 | 0.81 | ALDH1A1 (0.70) | ALDH1A1CYP2C19PKMGAACA1 | |
| SCHEMBL14278885 | 0.81 | ALDH1A1 (0.64) | ALDH1A1CYP2C19PKMGAACA1 | |
| SCHEMBL1348420 | 0.81 | ALDH1A1 (0.64) | ALDH1A1CYP2C19SIGMAR1PKMGAA | |
| SCHEMBL6599234 | 0.81 | CA1 (0.68) | ALDH1A1CYP2C19SIGMAR1PKMCA1 | |
| SCHEMBL2563975 | 0.81 | CYP3A4 (0.70) | ALDH1A1CYP2C19PKMGAACA1 | |
| SCHEMBL16638854 | 0.81 | CYP3A4 (0.70) | ALDH1A1SIGMAR1PKMCA1CA2 | |
| SCHEMBL606283 | 0.80 | ALDH1A1 (0.68) | ALDH1A1CYP2C19PKMGAACA1 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3696174-A1 | HETEROCYCLIC MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2020-08-19 | — | — | EP | disclosed |
| EP-3012250-B1 | ISOQUINOLINE MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMA (US) | 2017-11-08 | — | — | EP | disclosed |
| EP-3208272-A1 | HETEROCYCLIC MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2017-08-23 | — | — | EP | disclosed |
| US-9493478-B2 | Fused ring compound containing furan or salt thereof and pharmaceutical composition comprising same | YUHAN CORPORATION (KR) | 2016-11-15 | — | — | US | disclosed |
| US-20150191478-A1 | FUSED RING COMPOUND CONTAINING FURAN OR SALT THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME | YUHAN CORPORATION (KR) | 2015-07-09 | — | — | US | disclosed |
| EP-2876109-A1 | FUSED RING COMPOUND CONTAINING FURAN OR SALT THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME | Yuhan Corporation (KR) | 2015-05-27 | — | — | EP | disclosed |
| EP-2395002-A1 | Pharmaceutical composition containing a heterocyclic modulator of ATP-binding cassette transporters. | Vertex Pharmaceuticals Incorporated (US) | 2011-12-14 | — | — | EP | disclosed |
| US-7465728-B2 | Derivatives of 4-(imidazol-5-yl)-2-(4-sulfoanilino)pyrimidine with CDK inhibitory activity | ASTRAZENECA AB (SE) | 2008-12-16 | — | — | US | disclosed |
| CN-1649863-A | 4- (imidazol-5-yl) -2- (4-sulfoanilino) pyrimidine derivatives having CDK inhibitory activity | ASTRAZENECA AB (SE) | 2005-08-03 | — | — | CN | disclosed |
| US-20050131000-A1 | Derivatives of 4-(imidazol-5-yl)-2-(4-sulfoanilino)pyrimidine with cdk inhibitory activity | ASTRAZENECA AB (SE) | 2005-06-16 | — | — | US | disclosed |
| EP-1487823-A1 | DERIVATIVES OF 4-(IMIDAZOL-5-YL)-2-(4-SULFOANILINO)PYRIMIDINE WITH CDK INHIBITORY ACTIVITY | AstraZeneca AB (SE) | 2004-12-22 | — | — | EP | disclosed |
| WO-2003076436-A1 | DERIVATIVES OF 4- (IMIDAZOL-5-YL)-2-(4-SULFOANILINO) PYRIMIDINE WITH CDK INHIBITORY ACTIVITY | ASTRAZENECA AB (SE) | 2003-09-18 | — | — | 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 (2 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-20150191478-A1 | FUSED RING COMPOUND CONTAINING FURAN OR SALT THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME | PIK3CD, PIK3CA, MTOR | ALDH1A1 3470/4885CYP2C19 572/4885SIGMAR1 3669/4885 |
| US-20050131000-A1 | Derivatives of 4-(imidazol-5-yl)-2-(4-sulfoanilino)pyrimidine with cdk inhibitory activity | CCNI, CDK2, CDK1 | ALDH1A1 1079/4885CYP2C19 1050/4885SIGMAR1 4141/4885 |
“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.