Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.37 |
| ▸ | PRKDC | P78527 | 3/20 | 0.33 |
| ▸ | TPH1 | P17752 | 1/20 | 0.33 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.33 |
| ▸ | CETP | P11597 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | HTR6 | P50406 | 1/20 | 0.32 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.32 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.32 |
| ▸ | AR | P10275 | 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 | |
|---|---|---|---|---|
| SCHEMBL626480 | 0.82 | NPC1 (0.37) | PDE10APRKDCCETPPIK3CDPIK3CA | |
| SCHEMBL10288142 | 0.80 | PDE10A (0.36) | PDE10APRKDCTPH1CETPSIGMAR1 | |
| SCHEMBL627366 | 0.78 | PIK3CA (0.40) | PIK3CDPIK3CAPIK3CG | |
| SCHEMBL10298513 | 0.78 | PDE10A (0.34) | PDE10APRKDCCETP | |
| SCHEMBL16849917 | 0.72 | PIK3CB (0.41) | PDE10APRKDCTPH1P2RY12ALOX5 | |
| SCHEMBL16850491 | 0.67 | PDE10A (0.41) | PDE10ACETPPIK3CDPIK3CAPIK3CG | |
| SCHEMBL10298533 | 0.66 | KDM4E (0.32) | PIK3CA | |
| SCHEMBL949313 | 0.66 | MPO (0.42) | PDE10AALOX5CYP2D6NFKB1TAAR1 | |
| SCHEMBL1247974 | 0.65 | CYP2D6 (0.46) | PDE10AALOX5CYP2D6NFKB1TAAR1 | |
| SCHEMBL15925455 | 0.65 | AR (0.52) | PDE10AP2RY12CETPPIK3CDPIK3CA |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150175563-A1 | HETEROARYLS AND USES THEREOF | MILLENNIUM PHARM INC (US) | 2015-06-25 | — | — | US | disclosed |
| US-20150175593-A1 | HETEROARYLS AND USES THEREOF | MILLENNIUM PHARM INC (US) | 2015-06-25 | — | — | US | disclosed |
| US-8796271-B2 | Heteroaryls and uses thereof | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2014-08-05 | — | — | US | disclosed |
| US-8796268-B2 | Heteroaryls and uses thereof | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2014-08-05 | — | — | US | disclosed |
| US-8796268-B2 | Heteroaryls and uses thereof | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2014-08-05 | — | — | US | disclosed |
| US-20120178723-A1 | HETEROARYLS AND USES THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2012-07-12 | — | — | US | disclosed |
| US-20120172345-A1 | HETEROARYLS AND USES THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2012-07-05 | — | — | US | disclosed |
| US-20120172345-A1 | HETEROARYLS AND USES THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2012-07-05 | — | — | US | disclosed |
| WO-2012021696-A1 | HETEROARYLS AND USES THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2012-02-16 | — | — | 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 (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-20120172345-A1 | HETEROARYLS AND USES THEREOF | PIK3R1, PIK3R2, PIK3R3 | PDE10A 2609/4885PRKDC 3512/4885TPH1 908/4885 |
| US-20150175563-A1 | HETEROARYLS AND USES THEREOF | PIK3R1, PIK3R2, PIK3R3 | PDE10A 2609/4885PRKDC 3512/4885TPH1 908/4885 |
| US-20120178723-A1 | HETEROARYLS AND USES THEREOF | PIK3R1, PIK3R2, PIK3R3 | PDE10A 2341/4885PRKDC 3849/4885TPH1 926/4885 |
| US-20150175593-A1 | HETEROARYLS AND USES THEREOF | PIK3R1, PIK3R2, PIK3R3 | PDE10A 2341/4885PRKDC 3849/4885TPH1 926/4885 |
“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.