Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 2/20 | 0.43 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.43 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.43 |
| ▸ | GRM2 | Q14416 | 13/20 | 0.39 |
| ▸ | PDE1A | P54750 | 2/20 | 0.36 |
| ▸ | PDE1B | Q01064 | 2/20 | 0.36 |
| ▸ | PDE1C | Q14123 | 2/20 | 0.36 |
| ▸ | PDE4A | P27815 | 2/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.35 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.35 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.35 |
| ▸ | PDE2A | O00408 | 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 | |
|---|---|---|---|---|
| SCHEMBL11193538 | 0.83 | ADORA2A (0.51) | PDE4AADORA2APDE4BPDE4CPDE4D | |
| SCHEMBL5410997 | 0.79 | PDE1A (0.55) | PDE5APDE3BPDE3APDE1APDE1B | |
| SCHEMBL5403546 | 0.77 | PDE5A (0.45) | PDE5APDE3BPDE3APDE4AADORA2A | |
| SCHEMBL10988778 | 0.77 | ADORA2A (0.49) | PDE4AADORA2APDE4BPDE4CPDE4D | |
| SCHEMBL6992502 | 0.77 | PDE5A (0.45) | PDE5APDE4AADORA2APDE4BPDE4C | |
| SCHEMBL10991845 | 0.74 | PDE4A (0.51) | PDE4AADORA2APDE4BPDE4CPDE4D | |
| SCHEMBL11185750 | 0.73 | PDE4A (0.37) | PDE4AADORA2APDE4BPDE4CPDE4D | |
| SCHEMBL7458328 | 0.73 | ALDH1A1 (0.50) | PDE1APDE1BPDE1C | |
| SCHEMBL3665761 | 0.72 | HPGD (0.52) | ADORA2B | |
| SCHEMBL5411063 | 0.69 | ADORA2A (0.68) | PDE4AADORA2APDE4BPDE4CPDE4D |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9546175-B2 | Organic compounds | INTRA-CELLULAR THERAPIES, INC. (US) | 2017-01-17 | — | — | US | disclosed |
| US-9487527-B2 | Pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione derivatives useful as inhibitors of phosphodiesterase I | INTRA-CELLULAR THERAPIES, INC. (US) | 2016-11-08 | — | — | US | disclosed |
| US-9434730-B2 | PDE1 inhibitor compounds | INTRA-CELLULAR THERAPIES, INC. (US) | 2016-09-06 | — | — | US | disclosed |
| US-20160039829-A1 | ORGANIC COMPOUNDS | INTRA-CELLULAR THERAPIES, INC. | 2016-02-11 | — | — | US | disclosed |
| US-20150119370-A1 | Organic Compounds | LI PENG (US) | 2015-04-30 | — | — | US | disclosed |
| US-8859564-B2 | Pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione derivatives useful as inhibitors of phosphodiesterase 1 | INTRA-CELLULAR THERAPIES, INC. (US) | 2014-10-14 | — | — | US | disclosed |
| EP-2367430-B1 | ORGANIC COMPOUNDS | INTRA CELLULAR THERAPIES INC (US) | 2014-08-13 | — | — | EP | disclosed |
| US-20130338124-A1 | ORGANIC COMPOUNDS | INTRA-CELLULAR THERAPIES, INC. (US) | 2013-12-19 | — | — | US | disclosed |
| EP-2575817-A1 | ORGANIC COMPOUNDS | Intra-Cellular Therapies, Inc. (US) | 2013-04-10 | — | — | EP | disclosed |
| WO-2011153136-A1 | ORGANIC COMPOUNDS | INTRA-CELLULAR THERAPIES, INC. (US) | 2011-12-08 | — | — | WO | disclosed |
| US-20110281832-A1 | ORGANIC COMPOUNDS | INTRA-CELLULAR THERAPIES, INC. | 2011-11-17 | — | — | 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 (4 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-20160039829-A1 | ORGANIC COMPOUNDS | PRKG1, PDE2A, PDE3B | PDE5A 5/4885PDE3B 3/4885PDE3A 4/4885 |
| US-20110281832-A1 | ORGANIC COMPOUNDS | CYP2C9, CYP2C19, CYP3A4 | PDE5A 1323/4885PDE3B 627/4885PDE3A 934/4885 |
| US-20150119370-A1 | Organic Compounds | CYP2C19, CYP2C9, CYP3A43 | PDE5A 1890/4885PDE3B 992/4885PDE3A 1309/4885 |
| US-20130338124-A1 | ORGANIC COMPOUNDS | OPRD1, PDE5A, PDE2A | PDE5A 2/4885PDE3B 6/4885PDE3A 12/4885 |
“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.