Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | CCL2 | P13500 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 2/20 | 0.35 |
| ▸ | HTR6 | P50406 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 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 | |
|---|---|---|---|---|
| SCHEMBL9777608 | 0.83 | HTR2A (0.38) | BRD4CCL2HTR2AHTR6SIGMAR1 | |
| SCHEMBL30232400 | 0.80 | HTR2A (0.39) | BRD4CCL2HTR2AHTR6KDM4E | |
| SCHEMBL2902860 | 0.80 | HTR2A (0.39) | BRD4CCL2HTR2AHTR6KDM4E | |
| SCHEMBL31131312 | 0.80 | HTR2A (0.35) | BRD4CCL2HTR2AHTR6SIGMAR1 | |
| SCHEMBL2322179 | 0.80 | HTR2A (0.35) | BRD4CCL2HTR2AHTR6SIGMAR1 | |
| SCHEMBL14393119 | 0.80 | HTR2A (0.35) | BRD4CCL2HTR2AHTR6SIGMAR1 | |
| SCHEMBL5012228 | 0.80 | HTR2A (0.35) | BRD4CCL2HTR2AHTR6CYP2D6 | |
| SCHEMBL27512255 | 0.78 | BRD4 (0.35) | BRD4CCL2HTR2AHTR6SIGMAR1 | |
| SCHEMBL28267984 | 0.76 | ATM (0.35) | BRD4CCL2HTR2AHTR6CYP3A4 | |
| SCHEMBL28401175 | 0.73 | SIGMAR1 (0.33) | HTR2AHTR6SIGMAR1P2RX1P2RX3 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115215805-A | Preparation process of 2-cyanopyrimidine | 上海奥萝拉医药科技有限公司 | 2022-10-21 | — | — | CN | disclosed |
| CN-111417409-B | Pyrrolobenzodiazepine conjugates | 麦迪穆有限责任公司 | 2022-07-08 | — | — | CN | disclosed |
| CN-113631560-A | Azetidino-benzodiazepine dimers and conjugates comprising same for the treatment of cancer | 麦迪穆有限责任公司 | 2021-11-09 | — | — | CN | disclosed |
| CN-113286617-A | Pyrrolobenzodiazepine conjugates | 免疫医疗有限公司 | 2021-08-20 | — | — | CN | disclosed |
| CN-109843335-B | Pyrrolobenzodiazepine conjugates | 麦迪穆有限责任公司 | 2021-07-30 | — | — | CN | disclosed |
| CN-112867510-A | Pyrrolobenzodiazepine conjugates | 免疫医疗有限公司 | 2021-05-28 | — | — | CN | disclosed |
| CN-111065638-B | Pyrrolobenzodiazepine conjugates | 麦迪穆有限责任公司 | 2021-04-09 | — | — | CN | disclosed |
| CN-110582505-B | Pyrrolobenzodiazepine conjugates | 免疫医疗有限公司 | 2021-04-02 | — | — | CN | disclosed |
| US-20210032449-A1 | Polyethylene Copolymer and Method for Preparing Same | LG CHEM, LTD. (KR) | 2021-02-04 | — | — | US | disclosed |
| CN-112119082-A | Pyrrolobenzodiazepines and conjugates thereof | 免疫医疗有限公司 | 2020-12-22 | — | — | CN | disclosed |
| CN-111417409-A | Pyrrolobenzodiazepine conjugates | 麦迪穆有限责任公司 | 2020-07-14 | — | — | CN | disclosed |
| CN-111065638-A | Pyrrolobenzodiazepine conjugates | 麦迪穆有限责任公司 | 2020-04-24 | — | — | CN | disclosed |
| CN-110582505-A | Pyrrolobenzodiazepine conjugates | 免疫医疗有限公司 | 2019-12-17 | — | — | CN | disclosed |