Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 4/20 | 0.67 |
| ▸ | CES1 | P23141 | 3/20 | 0.67 |
| ▸ | LMNA | P02545 | 3/20 | 0.67 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 2/20 | 0.42 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.42 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL19859915 | 0.93 | LMNA (0.67) | CES2CES1LMNAKDM4EALDH1A1 | |
| SCHEMBL28291616 | 0.91 | CES2 (0.53) | CES2CES1LMNAKDM4EALDH1A1 | |
| SCHEMBL5821225 | 0.84 | LMNA (0.69) | CES2CES1LMNAKDM4EALDH1A1 | |
| SCHEMBL27608906 | 0.83 | CES2 (0.46) | CES2CES1LMNAKDM4EALDH1A1 | |
| SCHEMBL18096455 | 0.83 | CES2 (0.67) | CES2CES1LMNAKDM4EALDH1A1 | |
| SCHEMBL6838582 | 0.83 | LMNA (0.67) | CES2CES1LMNAKDM4EALDH1A1 | |
| Benzoin SCHEMBL901258 | 0.81 | CES2 (1.00) | CES2CES1LMNAKDM4EALDH1A1 | |
| Benzoin SCHEMBL10665271 | 0.81 | CES2 (1.00) | CES2CES1LMNAKDM4EALDH1A1 | |
| Benzoin SCHEMBL145 | 0.81 | CES2 (1.00) | CES2CES1LMNAKDM4EALDH1A1 | |
| Benzoin SCHEMBL5833429 | 0.81 | CES2 (1.00) | CES2CES1LMNAKDM4EALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3497108-A1 | CHELATED PSMA INHIBITORS | Cancer Targeted Technology LLC (US) | 2019-06-19 | — | — | EP | disclosed |
| WO-2018031809-A1 | CHELATED PSMA INHIBITORS | CANCER TARGETED TECHNOLOGY LLC (US) | 2018-02-15 | — | — | WO | disclosed |