Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHAT | P28329 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 5/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | NPC1 | O15118 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | DHFR | P00374 | 1/20 | 0.41 |
| ▸ | APP | P05067 | 1/20 | 0.40 |
| ▸ | MITF | O75030 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | RAD52 | P43351 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28575531 | 0.88 | GRM5 (0.46) | CHATMEN1KMT2AMAPTALDH1A1 | |
| SCHEMBL21858062 | 0.87 | CHAT (0.46) | CHATMEN1KMT2AMAPTALDH1A1 | |
| SCHEMBL21858921 | 0.84 | CYP1A1 (0.40) | CHATCYP1A2GRM5CA2HRH3 | |
| SCHEMBL21858054 | 0.81 | CHAT (0.58) | CHATMEN1KMT2AMAPTALDH1A1 | |
| SCHEMBL21858035 | 0.80 | CHAT (0.50) | CHATMEN1KMT2AMAPTALDH1A1 | |
| SCHEMBL2773275 | 0.80 | CHAT (0.66) | CHATMEN1KMT2AMAPTALDH1A1 | |
| SCHEMBL29793886 | 0.80 | CHAT (0.66) | CHATMEN1KMT2AMAPTALDH1A1 | |
| Benzene SCHEMBL28841286 | 0.80 | CHAT (0.66) | CHATMEN1KMT2AMAPTALDH1A1 | |
| SCHEMBL21858020 | 0.77 | GRM5 (0.46) | CHATMEN1KMT2AMAPTALDH1A1 | |
| SCHEMBL21858098 | 0.77 | CHAT (0.44) | CHATMEN1KMT2AMAPTALDH1A1 |
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-112955422-B | polycyclic compound | 三菱瓦斯化学株式会社 | 2023-08-22 | — | — | CN | 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 |
| 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 |