Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NUDT1 | P36639 | 1/20 | 0.41 |
| ▸ | BCL6 | P41182 | 1/20 | 0.40 |
| ▸ | DHFR | P00374 | 7/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | HEXA | P06865 | 5/20 | 0.37 |
| ▸ | HEXB | P07686 | 5/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL15579444 | 0.80 | DHFR (0.43) | NUDT1BCL6DHFRHSP90AA1MEN1 | |
| SCHEMBL10399566 | 0.78 | NUDT1 (0.43) | NUDT1DHFRHSP90AA1HEXAHEXB | |
| SCHEMBL19712334 | 0.77 | — | — | |
| SCHEMBL28150953 | 0.77 | DHFR (0.49) | NUDT1DHFRHSP90AA1 | |
| SCHEMBL18031204 | 0.77 | NUDT1 (0.59) | NUDT1HSP90AA1HEXAHEXB | |
| SCHEMBL23534954 | 0.75 | NUDT1 (0.41) | NUDT1DHFRHSP90AA1HEXAHEXB | |
| Hydrochloric Acid SCHEMBL28160350 | 0.75 | NUDT1 (0.58) | NUDT1HSP90AA1HEXAHEXB | |
| SCHEMBL29948217 | 0.75 | NUDT1 (0.41) | NUDT1DHFRHSP90AA1HEXAHEXB | |
| SCHEMBL233104 | 0.75 | NUDT1 (0.42) | NUDT1BCL6DHFRHSP90AA1HEXA | |
| SCHEMBL8664351 | 0.75 | ALDH1A1 (0.42) | ALDH1A1KMT2ASMN1; SMN2 |
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-9527847-B2 | Treatment of lupus, fibrotic conditions, and inflammatory myopathies and other disorders using PI3 kinase inhibitors | INFINITY PHARMACEUTICALS, INC. (US) | 2016-12-27 | — | — | US | disclosed |
| US-9522146-B2 | Substituted Isoquinolin-1(2H)-one compounds, compositions, and methods thereof | INTELLIKINE LLC (US) | 2016-12-20 | — | — | US | disclosed |
| US-20160113932-A1 | TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS | INFINITY PHARMACEUTICALS, INC. (US) | 2016-04-28 | — | — | US | disclosed |
| US-20140343057-A1 | TREATMENT OF LUPUS, FIBROTIC CONDITIONS, AND INFLAMMATORY MYOPATHIES AND OTHER DISORDERS USING PI3 KINASE INHIBITORS | INFINITY PHARMACEUTICALS, INC. | 2014-11-20 | — | — | US | disclosed |
| US-20120245169-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS | INTELLIKINE LLC | 2012-09-27 | — | — | US | disclosed |
| US-20120149701-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS | INTELLIKINE, INC. | 2012-06-14 | — | — | US | disclosed |
| US-8193182-B2 | Substituted isoquinolin-1(2H)-ones, and methods of use thereof | INTELLIKINE, INC. (US) | 2012-06-05 | — | — | US | disclosed |
| US-20120059000-A1 | CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION | INFINITY PHARMACEUTICALS, INC. | 2012-03-08 | — | — | US | disclosed |
| US-20090312319-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS | INTELLIKINE | 2009-12-17 | — | — | 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 (6 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-20090312319-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS | PIK3CA, PIK3CG, PIK3CB | NUDT1 791/4885BCL6 3047/4885DHFR 3733/4885 |
| US-20120059000-A1 | CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION | MAP3K13, AKT3, PIK3CA | NUDT1 2412/4885BCL6 1880/4885DHFR 3968/4885 |
| US-20140343057-A1 | TREATMENT OF LUPUS, FIBROTIC CONDITIONS, AND INFLAMMATORY MYOPATHIES AND OTHER DISORDERS USING PI3 KINASE INHIBITORS | MYLK2, SSB, MYLK | NUDT1 3027/4885BCL6 496/4885DHFR 4781/4885 |
| US-20120245169-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS | PIK3CA, PIK3CG, PIK3CB | NUDT1 791/4885BCL6 3047/4885DHFR 3733/4885 |
| US-20160113932-A1 | TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS | PIK3CA, PIK3CG, PIK3CD | NUDT1 2337/4885BCL6 299/4885DHFR 3229/4885 |
| US-20120149701-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS | PIK3CA, AKT3, PIK3C2A | NUDT1 1283/4885BCL6 3204/4885DHFR 4235/4885 |
“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.