Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | ESR1 | P03372 | 1/20 | 0.49 |
| ▸ | CA7 | P43166 | 1/20 | 0.49 |
| ▸ | CA9 | Q16790 | 1/20 | 0.49 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.49 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL13741356 | 0.84 | ALDH1A1 (0.48) | CA12CA1CA2CA7CA9 | |
| SCHEMBL28917392 | 0.83 | CA1 (0.56) | CA12CA1CA2ESR1CA7 | |
| SCHEMBL11829975 | 0.83 | MCHR1 (0.40) | LMNAMAPTHPGDMCHR1POLB | |
| SCHEMBL20993232 | 0.82 | CA12 (0.45) | CA12CA1CA2ESR1CA7 | |
| SCHEMBL20993454 | 0.82 | CA12 (0.45) | CA12CA1CA2ESR1CA7 | |
| SCHEMBL20993469 | 0.82 | CA12 (0.45) | CA12CA1CA2ESR1CA7 | |
| SCHEMBL28781927 | 0.80 | CYP2C19 (0.51) | CYP1A2LMNACYP19A1CYP2C9CYP2C19 | |
| SCHEMBL29285083 | 0.80 | ALDH1A1 (0.46) | RAB9ANPC1ALDH1A1 | |
| SCHEMBL6208733 | 0.80 | MKNK1 (0.40) | MAPTMCHR1MKNK1ALDH1A1 | |
| SCHEMBL17782257 | 0.79 | ALDH1A1 (0.47) | CA12CA1CA2CA7CA9 |
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-11918984-B2 | Annulation catalysts via direct C—H bond amination | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2024-03-05 | — | — | US | disclosed |
| US-20220016613-A1 | NOVEL ANNULATION CATALYSTS VIA DIRECT C-H BOND AMINATION | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2022-01-20 | — | — | US | disclosed |
| US-20220016613-A1 | NOVEL ANNULATION CATALYSTS VIA DIRECT C-H BOND AMINATION | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2022-01-20 | — | — | US | disclosed |
| WO-2020061300-A1 | NOVEL ANNULATION CATALYSTS VIA DIRECT C-H BOND AMINATION | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2020-03-26 | — | — | 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-11918984-B2 | Annulation catalysts via direct C—H bond amination | AADAC, AOC1, CAD | CA12 536/4885CA1 730/4885CA2 961/4885 |
| US-20220016613-A1 | NOVEL ANNULATION CATALYSTS VIA DIRECT C-H BOND AMINATION | AADAC, CAD, AOC1 | CA12 608/4885CA1 847/4885CA2 998/4885 |
“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.