Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHAT | P28329 | 1/20 | 0.49 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.40 |
| ▸ | ACACB | O00763 | 1/20 | 0.38 |
| ▸ | GRM5 | P41594 | 2/20 | 0.37 |
| ▸ | GFER | P55789 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MITF | O75030 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | RAD52 | P43351 | 1/20 | 0.34 |
| ▸ | SLC16A3 | O15427 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | ASIC3 | Q9UHC3 | 2/20 | 0.32 |
| ▸ | CA1 | P00915 | 3/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL21858027 | 0.88 | CHAT (0.49) | CHATHRH3CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL21858058 | 0.85 | CHAT (0.42) | CHATHRH3CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL21858034 | 0.82 | CHAT (0.50) | CHATHRH3CYP1A2ACACBGRM5 | |
| SCHEMBL21858044 | 0.82 | CHAT (0.48) | CHATHRH3CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL21858068 | 0.81 | ASIC3 (0.44) | HRH3CYP1A1CYP1A2CYP1B1ACACB | |
| SCHEMBL21858045 | 0.81 | ASIC3 (0.47) | CYP1A1CYP1A2CYP1B1GRM5MAPT | |
| SCHEMBL6364670 | 0.77 | CHAT (0.68) | CHATHRH3CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL21858021 | 0.76 | CHAT (0.46) | CHATHRH3CYP1A2ACACBGRM5 | |
| SCHEMBL21858087 | 0.76 | CYP1A1 (0.41) | CHATHRH3CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL28576148 | 0.75 | CHAT (0.44) | CHATHRH3CYP1A1CYP1A2CYP1B1 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112955422-B | polycyclic compound | 三菱瓦斯化学株式会社 | 2023-08-22 | — | — | CN | claimed |
| US-20210355058-A1 | POLYCYCLIC COMPOUNDS | MITSUBISHI GAS CHEMICAL CO (JP) | 2021-11-18 | — | — | US | claimed |
| US-20210340317-A1 | POLYCYCLIC COMPOUNDS | REUTER CHEMISCHE APPARATEBAU E.K. (DE) | 2021-11-04 | — | — | US | claimed |
| CN-112955422-A | Polycyclic compounds | 三菱瓦斯化学株式会社 | 2021-06-11 | — | — | CN | claimed |
| WO-2020080558-A1 | POLYCYCLIC COMPOUNDS | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2020-04-23 | — | — | WO | claimed |
| WO-2020079225-A1 | POLYCYCLIC COMPOUNDS | REUTER CHEMISCHE APPARATEBAU E.K. (DE) | 2020-04-23 | — | — | WO | claimed |
| CN-112955422-B | polycyclic compound | 三菱瓦斯化学株式会社 | 2023-08-22 | — | — | CN | disclosed |
| US-20210355058-A1 | POLYCYCLIC COMPOUNDS | MITSUBISHI GAS CHEMICAL CO (JP) | 2021-11-18 | — | — | US | disclosed |
| US-20210340317-A1 | POLYCYCLIC COMPOUNDS | REUTER CHEMISCHE APPARATEBAU E.K. (DE) | 2021-11-04 | — | — | US | disclosed |
| CN-112955422-A | Polycyclic compounds | 三菱瓦斯化学株式会社 | 2021-06-11 | — | — | CN | disclosed |
| WO-2020080558-A1 | POLYCYCLIC COMPOUNDS | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2020-04-23 | — | — | WO | disclosed |
| WO-2020079225-A1 | POLYCYCLIC COMPOUNDS | REUTER CHEMISCHE APPARATEBAU E.K. (DE) | 2020-04-23 | — | — | 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-20210340317-A1 | POLYCYCLIC COMPOUNDS | CBR1, C1R, CBR3 | CHAT 3261/4885HRH3 16/4885CYP1A1 12/4885 |
| US-20210355058-A1 | POLYCYCLIC COMPOUNDS | CBR1, CBR3, C1R | CHAT 3179/4885HRH3 16/4885CYP1A1 22/4885 |
“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.