Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.62 |
| ▸ | BACE1 | P56817 | 1/20 | 0.57 |
| ▸ | CA2 | P00918 | 1/20 | 0.54 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.51 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.51 |
| ▸ | CLK1 | P49759 | 6/20 | 0.50 |
| ▸ | DYRK1A | Q13627 | 4/20 | 0.50 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.50 |
| ▸ | PRF1 | P14222 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.43 |
| ▸ | TUBB | P07437 | 2/20 | 0.43 |
| ▸ | TUBA3C | P0DPH7 | 2/20 | 0.43 |
| ▸ | TUBA1B | P68363 | 2/20 | 0.43 |
| ▸ | TUBA4A | P68366 | 2/20 | 0.43 |
| ▸ | TUBB4B | P68371 | 2/20 | 0.43 |
| ▸ | TUBB3 | Q13509 | 2/20 | 0.43 |
| ▸ | TUBB2A | Q13885 | 2/20 | 0.43 |
| ▸ | TUBB8 | Q3ZCM7 | 2/20 | 0.43 |
| ▸ | TUBA3E | Q6PEY2 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL31697962 | 1.00 | CYP2A6 (0.62) | CYP2A6BACE1CA2PDE3BPDE3A | |
| SCHEMBL13632617 | 0.86 | CA2 (0.54) | CYP2A6BACE1CA2PDE3BPDE3A | |
| SCHEMBL3903263 | 0.83 | CYP2A6 (0.54) | CYP2A6BACE1CA2PDE3BPDE3A | |
| SCHEMBL7274175 | 0.79 | BACE1 (0.53) | BACE1CA2PDE3BPDE3ACLK1 | |
| SCHEMBL7274183 | 0.79 | BACE1 (0.53) | BACE1CA2PDE3BPDE3ACLK1 | |
| SCHEMBL7275954 | 0.79 | BACE1 (0.53) | BACE1CA2PDE3BPDE3ACLK1 | |
| SCHEMBL13654182 | 0.77 | CYP2A6 (0.51) | CYP2A6BACE1CA2PDE3BPDE3A | |
| SCHEMBL1397680 | 0.77 | CYP2A6 (1.00) | CYP2A6DYRK1AALDH1A1 | |
| SCHEMBL4580171 | 0.76 | BACE1 (0.67) | CYP2A6BACE1CA2PDE3BPDE3A | |
| SCHEMBL7032634 | 0.75 | CYP2A6 (0.51) | CYP2A6ALDH1A1 |
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-113439084-A | Duocarmycin analogs | 奥克兰联合服务有限公司 | 2021-09-24 | — | — | CN | disclosed |
| CN-103992310-B | One group replaces benzo heterocyclic amine derivant and preparation method thereof and the related application as IMPDH inhibitor | 中国医学科学院医药生物技术研究所 | 2016-07-06 | — | — | CN | disclosed |
| US-20120100566-A1 | CHEMILUMINESCENT COMPOSITIONS, METHODS, ASSAYS AND KITS FOR OXIDATIVE ENZYMES | Life Technologies Corporation (US) | 2012-04-26 | — | — | US | disclosed |
| US-7094798-B1 | Inhibitors of checkpoint kinases (Wee1 and Chk1) | PFIZER INC (US) | 2006-08-22 | — | — | US | disclosed |
| EP-1501831-A1 | INHIBITORS OF CHECKPOINT KINASES (WEE1 AND CHK1) | WARNER-LAMBERT COMPANY LLC (US) | 2005-02-02 | — | — | EP | disclosed |
| US-20040147787-A1 | Process for oxidation of alcohols | MILLER ROSS A (US) | 2004-07-29 | — | — | US | disclosed |
| WO-2003091255-A1 | INHIBITORS OF CHECKPOINT KINASES (WEE1 AND CHK1) | WARNER-LAMBERT COMPANY LLC (US) | 2003-11-06 | — | — | WO | disclosed |
| WO-2003006435-A1 | PROCESS FOR OXIDATION OF ALCOHOLS | MERCK & CO., INC. (US) | 2003-01-23 | — | — | 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 (2 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-20040147787-A1 | Process for oxidation of alcohols | TPO, ADH1C, GPX4 | CYP2A6 587/4885BACE1 4559/4885CA2 3963/4885 |
| US-20120100566-A1 | CHEMILUMINESCENT COMPOSITIONS, METHODS, ASSAYS AND KITS FOR OXIDATIVE ENZYMES | CBR1, AOX1, POR | CYP2A6 348/4885BACE1 713/4885CA2 1838/4885 |
“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.