Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | GRM6 | O15303 | 2/20 | 0.47 |
| ▸ | GRM5 | P41594 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | CASP1 | P29466 | 1/20 | 0.46 |
| ▸ | CHRNA7 | P36544 | 3/20 | 0.46 |
| ▸ | PRKDC | P78527 | 1/20 | 0.45 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.43 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.43 |
| ▸ | HTR3A | P46098 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | AR | P10275 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL10298243 | 0.92 | HSD17B10 (0.51) | HSD17B10ALDH1A1KDM4EMAPK1GRM6 | |
| SCHEMBL10288078 | 0.82 | ALDH1A1 (0.51) | HSD17B10ALDH1A1KDM4EMAPK1HPGD | |
| SCHEMBL10308315 | 0.80 | HSD17B10 (0.46) | HSD17B10ALDH1A1KDM4EMAPK1GRM6 | |
| SCHEMBL10288334 | 0.80 | ALDH1A1 (0.50) | HSD17B10ALDH1A1KDM4EMAPK1HPGD | |
| SCHEMBL10298244 | 0.76 | ALDH1A1 (0.44) | HSD17B10ALDH1A1KDM4EMAPK1HPGD | |
| SCHEMBL10298239 | 0.75 | ALDH1A1 (0.47) | HSD17B10ALDH1A1KDM4EMAPK1HPGD | |
| Cyclopropane SCHEMBL11660541 | 0.74 | GRM6 (0.55) | HSD17B10ALDH1A1KDM4EMAPK1GRM6 | |
| SCHEMBL10655750 | 0.71 | GRM6 (0.59) | HSD17B10ALDH1A1KDM4EMAPK1GRM6 | |
| SCHEMBL3121821 | 0.70 | PIK3CA (0.44) | HSD17B10ALDH1A1KDM4EMAPK1GRM5 | |
| SCHEMBL3757634 | 0.69 | PIK3CD (0.47) | HSD17B10ALDH1A1KDM4EMAPK1GAA |
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 7 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-8796268-B2 | Heteroaryls and uses thereof | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2014-08-05 | — | — | US | disclosed |
| US-8796271-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 |
| 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 | HSD17B10 475/4885ALDH1A1 429/4885KDM4E 4086/4885 |
| US-20150175563-A1 | HETEROARYLS AND USES THEREOF | PIK3R1, PIK3R2, PIK3R3 | HSD17B10 475/4885ALDH1A1 429/4885KDM4E 4086/4885 |
| US-20120178723-A1 | HETEROARYLS AND USES THEREOF | PIK3R1, PIK3R2, PIK3R3 | HSD17B10 405/4885ALDH1A1 395/4885KDM4E 3971/4885 |
| US-20150175593-A1 | HETEROARYLS AND USES THEREOF | PIK3R1, PIK3R2, PIK3R3 | HSD17B10 405/4885ALDH1A1 395/4885KDM4E 3971/4885 |
“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.