Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | CTSK | P43235 | 8/20 | 0.42 |
| ▸ | CTSS | P25774 | 6/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | CTSL | P07711 | 1/20 | 0.39 |
| ▸ | CTSB | P07858 | 1/20 | 0.39 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.39 |
| ▸ | GSTM2 | P28161 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 3/20 | 0.38 |
| ▸ | PPARA | Q07869 | 3/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL20789083 | 1.00 | CYP1A2 (0.50) | CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2 | |
| SCHEMBL14455148 | 0.85 | CTSS (0.57) | CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2 | |
| SCHEMBL28221788 | 0.84 | CYP1A2 (0.42) | CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2 | |
| SCHEMBL20789039 | 0.84 | CYP1A2 (0.42) | CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2 | |
| SCHEMBL19384756 | 0.84 | CYP1A2 (0.42) | CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2 | |
| SCHEMBL19384808 | 0.84 | CYP1A2 (0.42) | CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2 | |
| SCHEMBL29373981 | 0.83 | CYP1A2 (0.44) | CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2 | |
| SCHEMBL28777391 | 0.82 | CYP1A2 (0.56) | CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2 | |
| SCHEMBL18167329 | 0.82 | CYP1A2 (0.56) | CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2 | |
| SCHEMBL15608320 | 0.82 | CYP1A2 (0.56) | CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3432934-B1 | PRODRUGS OF CYTOTOXIC AGENTS WITH ENZYMATICALLY CLEAVABLE GROUPS | Bayer Pharma AG (DE) | 2022-02-23 | — | — | EP | disclosed |
| EP-3432934-A1 | PRODRUGS OF CYTOTOXIC ACTIVE AGENTS HAVING ENZYMATICALLY CLEAVABLE GROUPS | Bayer Pharma Aktiengesellschaft (DE) | 2019-01-30 | — | — | EP | disclosed |
| WO-2017162663-A1 | PRODRUGS OF CYTOTOXIC ACTIVE AGENTS HAVING ENZYMATICALLY CLEAVABLE GROUPS | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2017-09-28 | — | — | WO | disclosed |