Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 7/20 | 0.37 |
| ▸ | CYP1A1 | P04798 | 4/20 | 0.37 |
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.37 |
| ▸ | BMX | P51813 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 3/20 | 0.36 |
| ▸ | CA1 | P00915 | 3/20 | 0.36 |
| ▸ | CA2 | P00918 | 3/20 | 0.36 |
| ▸ | CA9 | Q16790 | 3/20 | 0.36 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.36 |
| ▸ | EDNRB | P24530 | 1/20 | 0.35 |
| ▸ | EDNRA | P25101 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | ACP3 | P15309 | 1/20 | 0.34 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.34 |
| ▸ | CDK4 | P11802 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL22947474 | 0.93 | CYP1A2 (0.36) | CYP1A2CYP1A1CYP1B1BMXCA12 | |
| SCHEMBL27394474 | 0.88 | CYP1A2 (0.45) | CYP1A2PDK2EDNRBEDNRAKDM4E | |
| SCHEMBL24166746 | 0.86 | CYP1A2 (0.45) | CYP1A2PDK2EDNRBEDNRARAB9A | |
| SCHEMBL22947709 | 0.86 | CYP1A2 (0.41) | CYP1A2CYP1A1CYP1B1PDK2KDM4E | |
| SCHEMBL22947659 | 0.83 | MAPT (0.40) | CA12CA1CA2CA9KDM4E | |
| SCHEMBL22949335 | 0.83 | MAPT (0.40) | CA12CA1CA2CA9KDM4E | |
| SCHEMBL22947558 | 0.81 | ALDH1A1 (0.40) | CYP1A2CA12CA1CA2CA9 | |
| SCHEMBL22947623 | 0.80 | CYP2A6 (0.41) | CYP1A2CA1CA2CA9PDK2 | |
| SCHEMBL22947702 | 0.80 | CYP1A2 (0.38) | CYP1A2CYP1A1CYP1B1PDK2EDNRB | |
| SCHEMBL6257531 | 0.79 | ALDH1A1 (0.42) | CYP1A2CYP1B1KDM4EALDH1A1CYP2C19 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210036245-A1 | HETEROAROMATIC COMPOUNDS | MERCK PATENT GMBH (DE) | 2021-02-04 | — | — | 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-20210036245-A1 | HETEROAROMATIC COMPOUNDS | ETV6, FES, LEF1 | CYP1A2 281/4885CYP1A1 217/4885CYP1B1 505/4885 |
“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.