Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | SMYD2 | Q9NRG4 | 3/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | ELANE | P08246 | 1/20 | 0.36 |
| ▸ | LTA4H | P09960 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | CD38 | P28907 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10437825 | 0.83 | ALDH1A1 (0.42) | NPC1RAB9ASMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL18603624 | 0.83 | ALDH1A1 (0.42) | NPC1RAB9ASMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL10437826 | 0.83 | ALDH1A1 (0.42) | NPC1RAB9ASMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL30192997 | 0.82 | ALDH1A1 (0.40) | NPC1RAB9ASMN1; SMN2CYP3A4HTT | |
| SCHEMBL27015413 | 0.82 | ALDH1A1 (0.40) | NPC1RAB9ASMN1; SMN2CYP3A4HTT | |
| SCHEMBL3580266 | 0.81 | SMYD2 (0.36) | SMN1; SMN2CYP3A4HTTMAPTSMYD2 | |
| SCHEMBL29487501 | 0.80 | CTSC (0.37) | SMN1; SMN2CYP3A4HTTALDH1A1HPGD | |
| SCHEMBL3577005 | 0.80 | SMYD2 (0.40) | SMN1; SMN2CYP3A4HTTSMYD2 | |
| SCHEMBL26964739 | 0.79 | ALDH1A1 (0.39) | NPC1RAB9ASMN1; SMN2HTTALDH1A1 | |
| SCHEMBL26964685 | 0.78 | ALDH1A1 (0.38) | NPC1RAB9ASMN1; SMN2CYP3A4ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8304412-B2 | Cyclically substituted 3,5-dicyano-2-thiopyridines and use thereof | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2012-11-06 | — | — | US | disclosed |
| US-8304412-B2 | Cyclically substituted 3,5-dicyano-2-thiopyridines and use thereof | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2012-11-06 | — | — | US | disclosed |
| US-20100022544-A1 | CYCLICALLY SUBSTITUTED 3,5-DICYANO-2-THIOPYRIDINES AND USE THEREOF | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2010-01-28 | — | — | US | disclosed |
| US-20100022544-A1 | CYCLICALLY SUBSTITUTED 3,5-DICYANO-2-THIOPYRIDINES AND USE THEREOF | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2010-01-28 | — | — | 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-20100022544-A1 | CYCLICALLY SUBSTITUTED 3,5-DICYANO-2-THIOPYRIDINES AND USE THEREOF | QDPR, TPMT, PTGIS | NPC1 1441/4885RAB9A 3484/4885SMN1; SMN2 4731/4885 |
“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.