Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.30 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.30 |
| ▸ | PDK4 | Q16654 | 2/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1900202 | 0.80 | CYP2A6 (0.32) | — | |
| SCHEMBL1820304 | 0.80 | CYP2A6 (0.35) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL6362575 | 0.72 | LMNA (0.46) | ALDH1A1MAPTSMN1; SMN2MAPK1L3MBTL1 | |
| SCHEMBL30362436 | 0.71 | MRGPRX1 (0.33) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL8274148 | 0.71 | MRGPRX1 (0.33) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL7926335 | 0.68 | ALDH1A1 (0.40) | ALDH1A1MAPTSMN1; SMN2HSD17B10KMT2A | |
| SCHEMBL19699901 | 0.68 | CYP2A6 (0.34) | ALDH1A1SMN1; SMN2KMT2A | |
| SCHEMBL3891533 | 0.68 | RPS6KB2 (0.36) | ALDH1A1MAPTSMN1; SMN2L3MBTL1 | |
| SCHEMBL17813446 | 0.67 | PDK2 (0.32) | PDK2PDK4 | |
| SCHEMBL7923181 | 0.67 | KDM4E (0.41) | — |
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-2021129737-A1 | COMPOUND HAVING KHK INHIBITORY EFFECT | 南京明德新药研发有限公司 | 2021-07-01 | — | — | WO | disclosed |
| US-20110195957-A1 | SUBSTITUTED DIAZEPAN OREXIN RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2011-08-11 | — | — | US | disclosed |
| US-7816351-B2 | 5,6-dimethylthieno[2,3-di] pyrimidine derivatives, the preparation method thereof and the pharmaceutical composition comprising the same for anti-virus | EQUISPHARM CO., LTD (KR) | 2010-10-19 | — | — | US | disclosed |
| US-20080234482-A1 | 5,6-Dimethylthieno[2,3-Di] Pyrimidine Derivatives, the Preparation Method Thereof and the Pharmaceutical Composition Comprising the Same for Anti-Virus | EQUISPHARM CO., LTD (KR) | 2008-09-25 | — | — | 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 (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-20080234482-A1 | 5,6-Dimethylthieno[2,3-Di] Pyrimidine Derivatives, the Preparation Method Thereof and the Pharmaceutical Composition Comprising the Same for Anti-Virus | DUS2, DPYD, DUT | PDK2 268/4885ALDH1A1 368/4885MAPT 2681/4885 |
| US-20110195957-A1 | SUBSTITUTED DIAZEPAN OREXIN RECEPTOR ANTAGONISTS | HCRTR2, HCRTR1, CRHR1 | PDK2 2210/4885ALDH1A1 3194/4885MAPT 712/4885 |
“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.