Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.33 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.33 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | HPD | P32754 | 2/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CRHBP | P24387 | 1/20 | 0.32 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9609251 | 0.93 | ALDH1A1 (0.34) | ALDH1A1MAPTTP53KDM4EPOLB | |
| SCHEMBL9608318 | 0.67 | ALDH1A1 (0.48) | ALDH1A1MAPTTP53KDM4EPOLB | |
| SCHEMBL9608346 | 0.64 | PRKDC (0.49) | ALDH1A1PIK3CAPRKDC | |
| SCHEMBL13334384 | 0.63 | PRKDC (0.48) | PDE4APDE3BPDE1BPIK3CAPRKDC | |
| SCHEMBL9608339 | 0.59 | PDE1A (0.48) | ALDH1A1MAPTTP53KDM4EPOLB | |
| SCHEMBL2455867 | 0.57 | PDE1A (0.49) | ALDH1A1MAPTTP53KDM4EPOLB | |
| SCHEMBL20861040 | 0.57 | PIK3CA (0.53) | ALDH1A1SLC6A2HPDCRHBPCRHR2 | |
| SCHEMBL5838061 | 0.53 | DRD2 (0.49) | POLBHPDPIK3CAPRKDC | |
| SCHEMBL5838051 | 0.53 | DRD2 (0.52) | POLBHPDPIK3CAPRKDC | |
| SCHEMBL6208794 | 0.53 | HPD (0.56) | ALDH1A1KDM4ESMN1; SMN2HPDPIK3CA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150353556-A1 | ORGANIC COMPOUNDS | LI PENG (US) | 2015-12-10 | — | — | US | disclosed |
| US-8927556-B2 | 1H-pyrrolo[3,4-D]pyrimidin-2(6H)-one compounds | INTRA-CELLULAR THERAPIES, INC. (US) | 2015-01-06 | — | — | US | disclosed |
| US-20120136013-A1 | ORGANIC COMPOUNDS | INTRA-CELLULAR THERAPIES. INC. | 2012-05-31 | — | — | 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-20150353556-A1 | ORGANIC COMPOUNDS | CYP2C9, TPMT, CYP2C19 | ALDH1A1 214/4885MAPT 888/4885TP53 1020/4885 |
| US-20120136013-A1 | ORGANIC COMPOUNDS | CYP2C9, CYP2C19, CYP3A4 | ALDH1A1 216/4885MAPT 966/4885TP53 1249/4885 |
“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.