Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | ABAT | P80404 | 1/20 | 0.35 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.35 |
| ▸ | RBP4 | P02753 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.33 |
| ▸ | MMP1 | P03956 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MMP12 | P39900 | 1/20 | 0.33 |
| ▸ | PTPRC | P08575 | 2/20 | 0.33 |
| ▸ | CTSL | P07711 | 1/20 | 0.33 |
| ▸ | PTPN13 | Q12923 | 1/20 | 0.33 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.33 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.33 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11831102 | 0.68 | ATM (0.36) | CYP1A2CYP2D6CYP2C9CYP2C19MEN1 | |
| SCHEMBL13401708 | 0.67 | ALDH1A1 (0.52) | MEN1KMT2AGAAKDM4EMAPT | |
| SCHEMBL9076829 | 0.67 | CYP2C9 (0.55) | CYP1A2CYP2D6CYP2C9MEN1KMT2A | |
| SCHEMBL11884723 | 0.67 | MEN1 (0.38) | CYP1A2CYP2D6CYP2C9CYP2C19MEN1 | |
| SCHEMBL15539822 | 0.67 | MAPT (0.36) | CYP2D6CYP2C9MEN1KMT2ATDP1 | |
| SCHEMBL15539909 | 0.67 | MAPT (0.36) | CYP2D6CYP2C9MEN1KMT2ATDP1 | |
| SCHEMBL16796575 | 0.67 | MAPT (0.36) | CYP2D6CYP2C9MEN1KMT2ATDP1 | |
| SCHEMBL29258056 | 0.66 | KMT2A (0.41) | CYP1A2CYP2D6CYP2C9CYP2C19MEN1 | |
| Acetic Acid SCHEMBL27880107 | 0.66 | ALDH1A1 (0.45) | MEN1KMT2ATDP1RBP4GAA | |
| SCHEMBL2678003 | 0.66 | DPP4 (0.54) | CYP1A2CYP2C19KMT2ARBP4CYP3A4 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9757375-B2 | Compounds that inhibit human DNA ligases and methods of treating cancer | UNIVERSITY OF MARYLAND, BALTIMORE (US) | 2017-09-12 | — | — | US | disclosed |
| US-20150313898-A1 | COMPOUNDS THAT INHIBIT HUMAN DNA LIGASES AND METHODS OF TREATING CANCER | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2015-11-05 | — | — | US | disclosed |
| US-9073896-B2 | Compounds that inhibit human DNA ligases and methods of treating cancer | UNIVERSITY OF MARYLAND, BALTIMORE (US) | 2015-07-07 | — | — | US | disclosed |
| US-20140113891-A1 | Compounds that inhibit human DNA ligases and methods of treating cancer | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2014-04-24 | — | — | US | disclosed |
| US-8445537-B2 | Compounds that inhibit human DNA ligases and methods of treating cancer | STC.UNM (US) | 2013-05-21 | — | — | US | disclosed |
| US-20100099683-A1 | COMPOUNDS THAT INHIBIT HUMAN DNA LIGASES AND METHODS OF TREATING CANCER | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2010-04-22 | — | — | 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 (3 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-20100099683-A1 | COMPOUNDS THAT INHIBIT HUMAN DNA LIGASES AND METHODS OF TREATING CANCER | LIG1, LIG4, LIG3 | CYP1A2 4157/4885CYP2D6 3761/4885CYP2C9 4167/4885 |
| US-20150313898-A1 | COMPOUNDS THAT INHIBIT HUMAN DNA LIGASES AND METHODS OF TREATING CANCER | LIG1, LIG4, LIG3 | CYP1A2 4157/4885CYP2D6 3761/4885CYP2C9 4167/4885 |
| US-20140113891-A1 | Compounds that inhibit human DNA ligases and methods of treating cancer | LIG1, LIG4, LIG3 | CYP1A2 4157/4885CYP2D6 3761/4885CYP2C9 4167/4885 |
“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.