Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | UBE2T | Q9NPD8 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.37 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 4/20 | 0.36 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.36 |
| ▸ | HTR3A | P46098 | 1/20 | 0.35 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | IP6K1 | Q92551 | 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 | |
|---|---|---|---|---|
| SCHEMBL9925925 | 0.98 | CYP1A2 (0.41) | HRH3CYP1A2CYP2D6MAPTUBE2T | |
| SCHEMBL13882055 | 0.87 | AOC3 (0.39) | HRH3CYP1A2CYP2D6MAPTUBE2T | |
| SCHEMBL9925949 | 0.85 | HRH4 (0.51) | HRH3HTR3AHRH4 | |
| SCHEMBL9925951 | 0.83 | ALDH1A1 (0.46) | CYP1A2MAPTALDH1A1LMNAKDM4E | |
| SCHEMBL12146373 | 0.83 | KDM4E (0.45) | HRH3CYP1A2ALDH1A1KDM4EHRH4 | |
| SCHEMBL24126296 | 0.82 | UBE2T (0.41) | MAPTUBE2TALDH1A1LMNAALOX12 | |
| SCHEMBL12490746 | 0.82 | PIK3CA (0.36) | HRH3MAPTALDH1A1LMNAKDM4E | |
| SCHEMBL9925927 | 0.82 | MAPT (0.47) | MAPTALDH1A1LMNAGPR119HRH4 | |
| SCHEMBL17221263 | 0.81 | UBE2T (0.40) | MAPTUBE2TALDH1A1LMNAALOX12 | |
| SCHEMBL11919298 | 0.80 | CKS1B (0.49) | HRH3CYP1A2CYP2D6GPR119HTR3A |
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-20180098983-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS | INTELLIKINE, INC. | 2018-04-12 | — | — | US | disclosed |
| US-9822131-B2 | Certain chemical entities, compositions and methods | INTELLIKINE LLC (US) | 2017-11-21 | — | — | US | disclosed |
| US-20170281614-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS | INTELLIKINE LLC | 2017-10-05 | — | — | US | disclosed |
| US-20170137407-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | INFINITY PHARMACEUTICALS, INC. | 2017-05-18 | — | — | US | disclosed |
| US-20160207940-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | INFINITY PHARMACEUTICALS, INC. | 2016-07-21 | — | — | US | disclosed |
| US-20150342935-A1 | QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS | BRISTOL MYERS SQUIBB CO (US) | 2015-12-03 | — | — | US | disclosed |
| US-20140377258-A1 | Treatment Of Cancers Using PI3 Kinase Isoform Modulators | INFINITY PHARMACEUTICALS, INC. (US) | 2014-12-25 | — | — | US | disclosed |
| WO-2014194254-A1 | TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS | INFINITY PHARMACEUTICALS, INC. (US) | 2014-12-04 | — | — | WO | disclosed |
| WO-2014071109-A1 | TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS | INFINITY PHARMACEUTICALS, INC. (US) | 2014-05-08 | — | — | WO | disclosed |
| WO-2014071105-A1 | TREATMENT OF RHEUMATOID ARTHRITIS AND ASTHMA USING P13 KINASE INHIBITORS | INFINITY PHARMACEUTICALS, INC. (US) | 2014-05-08 | — | — | WO | disclosed |
| US-20120149701-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS | INTELLIKINE, INC. | 2012-06-14 | — | — | 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 (7 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-20140377258-A1 | Treatment Of Cancers Using PI3 Kinase Isoform Modulators | PIK3CA, MCL1, PIK3CB | HRH3 2933/4885CYP1A2 2955/4885CYP2D6 2664/4885 |
| US-20180098983-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS | PIK3CA, AKT3, PIK3C2A | HRH3 1443/4885CYP1A2 2432/4885CYP2D6 3214/4885 |
| US-20160207940-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | PIK3CA, PIK3CD, PIK3CB | HRH3 1695/4885CYP1A2 2099/4885CYP2D6 2681/4885 |
| US-20170137407-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | AKT3, PIK3CA, AKT1 | HRH3 1600/4885CYP1A2 2844/4885CYP2D6 3267/4885 |
| US-20150342935-A1 | QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS | CHRNA7, CHRNA5, CHRNA6 | HRH3 220/4885CYP1A2 2027/4885CYP2D6 1921/4885 |
| US-20120149701-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS | PIK3CA, AKT3, PIK3C2A | HRH3 1443/4885CYP1A2 2432/4885CYP2D6 3214/4885 |
| US-20170281614-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS | PIK3CA, PIK3CG, PIK3CB | HRH3 1491/4885CYP1A2 1763/4885CYP2D6 2766/4885 |
“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.