Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 11/20 | 0.51 |
| ▸ | RAB9A | P51151 | 11/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 10/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.51 |
| ▸ | PKM | P14618 | 5/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.51 |
| ▸ | TP53 | P04637 | 4/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.51 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.48 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.48 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | METAP2 | P50579 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 4/20 | 0.45 |
| ▸ | METAP1 | P53582 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | MTOR | P42345 | 1/20 | 0.45 |
| ▸ | CDK2 | P24941 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1445575 | 0.83 | KDM4E (0.41) | NPC1RAB9AKDM4EALDH1A1PKM | |
| SCHEMBL369484 | 0.79 | NPC1 (0.51) | NPC1RAB9AKDM4EALDH1A1PKM | |
| SCHEMBL29452971 | 0.75 | ALDH1A1 (0.63) | KDM4EALDH1A1HSD17B10ADORA3ADORA2A | |
| SCHEMBL680856 | 0.74 | CDK2 (0.55) | NPC1RAB9AKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL2396572 | 0.73 | CDK2 (0.44) | NPC1RAB9AKDM4EALDH1A1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL4456682 | 0.73 | CDK2 (0.54) | NPC1RAB9AKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL30659969 | 0.72 | NPC1 (0.69) | NPC1RAB9AKDM4EALDH1A1PKM | |
| SCHEMBL30659968 | 0.72 | NPC1 (0.69) | NPC1RAB9AKDM4EALDH1A1PKM | |
| SCHEMBL1535707 | 0.72 | NPC1 (0.69) | NPC1RAB9AKDM4EALDH1A1PKM | |
| SCHEMBL28079024 | 0.71 | EGFR (0.45) | NPC1RAB9AKDM4EALDH1A1SMN1; 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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103328466-B | Hcv ns3 protease inhibitors | RFS制药公司 | 2016-08-03 | — | — | CN | disclosed |
| CN-103003279-B | Purine compounds selective for PI3K P110 and methods of use thereof | F. HOFFMANN-LA ROCHE AG (CH) | 2015-09-23 | — | — | CN | disclosed |
| EP-2593455-B1 | PURINE COMPOUNDS SELECTIVE FOR I3 P110 DELTA, AND METHODS OF USE | HOFFMANN LA ROCHE (CH) | 2015-03-18 | — | — | EP | disclosed |
| EP-2593455-A1 | PURINE COMPOUNDS SELECTIVE FOR I3 P110 DELTA, AND METHODS OF USE | F.HOFFMANN-LA ROCHE AG (CH) | 2013-05-22 | — | — | EP | disclosed |
| CN-103003279-A | Purine compounds selective for PI3K P110 delta and methods of use thereof | HOFFMANN LA ROCHE | 2013-03-27 | — | — | CN | disclosed |
| US-8293736-B2 | Purine compounds selective for PI3K P110 delta, and methods of use | F. HOFFMANN LA ROCHE AG (CH) | 2012-10-23 | — | — | US | disclosed |
| WO-2012007493-A1 | PURINE COMPOUNDS SELECTIVE FOR ΡI3Κ P110 DELTA, AND METHODS OF USE | F. HOFFMANN-LA ROCHE AG (CH) | 2012-01-19 | — | — | WO | disclosed |
| US-20120015931-A1 | PURINE COMPOUNDS SELECTIVE FOR PI3K P110 DELTA, AND METHODS OF USE | F. HOFFMANN-LA ROCHE AG (CH) | 2012-01-19 | — | — | 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 (1 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-20120015931-A1 | PURINE COMPOUNDS SELECTIVE FOR PI3K P110 DELTA, AND METHODS OF USE | PIK3CA, PIK3CD, PIK3CG | NPC1 2853/4885RAB9A 1546/4885KDM4E 3949/4885 |
“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.