Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | PDE10A | Q9Y233 | 5/20 | 0.45 |
| ▸ | BACE1 | P56817 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.40 |
| ▸ | GSK3A | P49840 | 1/20 | 0.40 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.40 |
| ▸ | HIPK1 | Q86Z02 | 1/20 | 0.40 |
| ▸ | RIOK2 | Q9BVS4 | 1/20 | 0.40 |
| ▸ | SNRK | Q9NRH2 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL23396667 | 0.88 | CYP1A2 (0.47) | CYP2A6TDP1PDE10ACYP1A2 | |
| SCHEMBL23715914 | 0.86 | CYP1A2 (0.48) | CYP2A6TDP1PDE10ACYP1A2HTR2B | |
| SCHEMBL21363718 | 0.85 | CYP19A1 (0.41) | CYP2A6PDE10ACYP1A2 | |
| SCHEMBL3119876 | 0.83 | CYP1A2 (0.46) | CYP2A6PDE10ACYP1A2HTR2CHTR2B | |
| SCHEMBL22685142 | 0.83 | PDE10A (0.42) | CYP2A6PDE10ACYP1A2 | |
| SCHEMBL22683771 | 0.78 | PDE10A (0.48) | CYP2A6PDE10ABACE1CYP1A2HTR2A | |
| SCHEMBL21515675 | 0.77 | NQO2 (0.44) | CYP2A6TDP1PDE10ABACE1CYP1A2 | |
| SCHEMBL21031190 | 0.76 | PDE10A (0.52) | CYP2A6PDE10ABACE1CYP1A2ATM | |
| SCHEMBL3121339 | 0.76 | HTR2B (0.50) | CYP2A6TDP1PDE10ACYP1A2HTR2B | |
| SCHEMBL21951174 | 0.74 | CYP1A2 (0.44) | CYP2A6PDE10ABACE1CYP1A2HTR2B |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10815226-B2 | Heteroaryl compounds as inhibitors of necrosis, composition and application thereof | ACCRO BIOSCIENCE INC. (KY) | 2020-10-27 | — | — | US | disclosed |
| US-20200048223-A1 | WNT SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF | Suzhou Yunxuan Yiyao Keji Youxian Gongsi (CN) | 2020-02-13 | — | — | US | disclosed |
| US-10450300-B2 | Wnt signaling pathway inhibitors and therapeutic applications thereof | Suzhou Yunxuan Yiyao Keji Youxian Gongsi (CN) | 2019-10-22 | — | — | US | disclosed |
| US-20190284180-A1 | HETEROARYL COMPOUNDS AS INHIBITORS OF NECROSIS, COMPOSITION AND APPLICATION THEREOF | ACCRO BIOSCIENCE (HK) LIMITED (HK) | 2019-09-19 | — | — | 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 (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-10450300-B2 | Wnt signaling pathway inhibitors and therapeutic applications thereof | WNT1, WNT3A, CTNNB1 | CYP2A6 2710/4885TDP1 4679/4885PDE10A 2312/4885 |
| US-20200048223-A1 | WNT SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF | WNT1, WNT3A, CTNNB1 | CYP2A6 2710/4885TDP1 4679/4885PDE10A 2312/4885 |
| US-10815226-B2 | Heteroaryl compounds as inhibitors of necrosis, composition and application thereof | LITAF, BAX, TNF | CYP2A6 1173/4885TDP1 1419/4885PDE10A 3389/4885 |
| US-20190284180-A1 | HETEROARYL COMPOUNDS AS INHIBITORS OF NECROSIS, COMPOSITION AND APPLICATION THEREOF | LITAF, BAX, TNF | CYP2A6 1173/4885TDP1 1419/4885PDE10A 3389/4885 |
“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.