Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | PDE1A | P54750 | 3/20 | 0.36 |
| ▸ | PDE1B | Q01064 | 3/20 | 0.36 |
| ▸ | PDE1C | Q14123 | 3/20 | 0.36 |
| ▸ | PDE2A | O00408 | 2/20 | 0.36 |
| ▸ | PORCN | Q9H237 | 5/20 | 0.35 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.35 |
| ▸ | VEGFA | P15692 | 1/20 | 0.34 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL17656464 | 1.00 | ALDH1A1 (0.37) | ALDH1A1PDE1APDE1BPDE1CPDE2A | |
| SCHEMBL17656425 | 0.88 | PORCN (0.36) | ALDH1A1PORCNTBXAS1MAPTPARP1 | |
| SCHEMBL9608328 | 0.87 | CHRM1 (0.42) | PDE1APDE1BPDE1C | |
| SCHEMBL2454975 | 0.85 | PDE1B (0.51) | ALDH1A1PDE1APDE1BPDE1CPDE2A | |
| SCHEMBL2612354 | 0.78 | PDE1B (0.41) | ALDH1A1PDE1APDE1BPDE1CPDE2A | |
| SCHEMBL9608337 | 0.75 | PDE1B (0.48) | ALDH1A1PDE1APDE1BPDE1CPDE2A | |
| SCHEMBL17656460 | 0.74 | PORCN (0.34) | ALDH1A1PORCNTBXAS1 | |
| SCHEMBL679945 | 0.73 | ALDH1A1 (0.39) | ALDH1A1PDE1APDE1BPDE1CPORCN | |
| SCHEMBL8045647 | 0.73 | PDE1B (0.64) | ALDH1A1PDE1APDE1BPDE1CPDE2A | |
| SCHEMBL17323146 | 0.73 | PDE1B (0.45) | ALDH1A1PDE1APDE1BPDE1CPDE2A |
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 5 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-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-8927556-B2 | 1H-pyrrolo[3,4-D]pyrimidin-2(6H)-one compounds | INTRA-CELLULAR THERAPIES, INC. (US) | 2015-01-06 | — | — | US | disclosed |
| WO-2010065147-A1 | ORGANIC COMPOUNDS | INTRA-CELLULAR THERAPIES, INC. (US) | 2010-06-10 | — | — | 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 (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-20150353556-A1 | ORGANIC COMPOUNDS | CYP2C9, TPMT, CYP2C19 | ALDH1A1 214/4885PDE1A 4874/4885PDE1B 4863/4885 |
“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.