Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | NNMT | P40261 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | PEPD | P12955 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | GABRP | O00591 | 2/20 | 0.47 |
| ▸ | GABRD | O14764 | 2/20 | 0.47 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.47 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.47 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.47 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.47 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.47 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.47 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.47 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.47 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.47 |
| ▸ | GABRE | P78334 | 2/20 | 0.47 |
| ▸ | GABRA6 | Q16445 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL18291750 | 0.85 | GABRP (0.48) | ALDH1A1NNMTSMN1; SMN2NPC1HDAC1 | |
| SCHEMBL1691584 | 0.84 | GABRP (0.52) | ALDH1A1NNMTSMN1; SMN2HDAC1HDAC6 | |
| SCHEMBL2081651 | 0.82 | SMN1; SMN2 (0.50) | ALDH1A1NNMTSMN1; SMN2NPC1HDAC1 | |
| SCHEMBL29403604 | 0.82 | SMN1; SMN2 (0.50) | ALDH1A1NNMTSMN1; SMN2NPC1HDAC1 | |
| SCHEMBL2446202 | 0.82 | HDAC1 (0.46) | ALDH1A1NNMTSMN1; SMN2HDAC1HDAC6 | |
| SCHEMBL9413742 | 0.80 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2PEPDNPC1GAA | |
| SCHEMBL25066095 | 0.79 | CDK8 (0.46) | NNMTSMN1; SMN2HDAC1HDAC6GABRP | |
| SCHEMBL28646189 | 0.79 | CDK8 (0.46) | NNMTSMN1; SMN2HDAC1HDAC6GABRP | |
| SCHEMBL27663662 | 0.79 | SMN1; SMN2 (0.52) | ALDH1A1NNMTSMN1; SMN2NPC1HDAC1 | |
| SCHEMBL4007229 | 0.78 | NPSR1 (0.54) | ALDH1A1SMN1; SMN2PEPDNPC1HDAC1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180161329-A1 | PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF | TEIJIN PHARMA LIMITED (JP) | 2018-06-14 | — | — | US | disclosed |
| EP-3305785-A1 | PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF | Teijin Pharma Limited (JP) | 2018-04-11 | — | — | EP | disclosed |
| WO-2017117447-A1 | MULTICYCLIC COMPOUNDS AND USES THEREOF | Karyopharm Therapeutics Inc. (US) | 2017-07-06 | — | — | WO | disclosed |
| WO-2016194831-A1 | PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF | 帝人ファーマ株式会社 | 2016-12-08 | — | — | WO | disclosed |
| US-20130040934-A1 | SPIROCYCLIC COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES | UNIVERSITY OF BASEL (CH) | 2013-02-14 | — | — | US | disclosed |
| EP-2547684-A1 | SPIROCYCLIC COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES | University of Basel (CH) | 2013-01-23 | — | — | EP | disclosed |
| WO-2011114275-A1 | SPIROCYCLIC COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES | UNIVERSITY OF BASEL (CH) | 2011-09-22 | — | — | WO | disclosed |
| WO-2008122787-A1 | PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE | EVOTEC AG (DE) | 2008-10-16 | — | — | 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-20180161329-A1 | PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF | CDK4, CDK6, CDK16 | ALDH1A1 944/4885NNMT 1218/4885SMN1; SMN2 1690/4885 |
| US-20130040934-A1 | SPIROCYCLIC COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES | CDK4, GRK4, RPS6KA4 | ALDH1A1 3441/4885NNMT 1450/4885SMN1; SMN2 3593/4885 |
“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.