Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 5/20 | 0.58 |
| ▸ | ERBB2 | P04626 | 5/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.53 |
| ▸ | LMNA | P02545 | 3/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.53 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.53 |
| ▸ | THPO | P40225 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.53 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.53 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.53 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.53 |
| ▸ | ACHE | P22303 | 1/20 | 0.53 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.53 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL9163920 | 0.93 | EGFR (0.53) | EGFRERBB2ALDH1A1CYP3A4SMN1; SMN2 | |
| SCHEMBL9248366 | 0.83 | EGFR (0.47) | EGFRERBB2ALDH1A1CYP3A4SMN1; SMN2 | |
| SCHEMBL7462603 | 0.82 | EGFR (0.60) | EGFRERBB2ALDH1A1CYP3A4SMN1; SMN2 | |
| SCHEMBL766052 | 0.82 | EGFR (0.61) | EGFRERBB2ALDH1A1CYP3A4SMN1; SMN2 | |
| SCHEMBL11980711 | 0.81 | EGFR (0.63) | EGFRERBB2ALDH1A1CYP3A4SMN1; SMN2 | |
| SCHEMBL2170152 | 0.80 | EGFR (0.54) | EGFRERBB2ALDH1A1CYP3A4SMN1; SMN2 | |
| SCHEMBL14839588 | 0.78 | CYP3A4 (0.58) | EGFRERBB2ALDH1A1CYP3A4SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL10535649 | 0.78 | CYP3A4 (0.50) | EGFRERBB2ALDH1A1CYP3A4SMN1; SMN2 | |
| SCHEMBL5384052 | 0.77 | CYP3A4 (0.49) | EGFRERBB2ALDH1A1CYP3A4SMN1; SMN2 | |
| SCHEMBL12266656 | 0.77 | EGFR (0.58) | EGFRERBB2ALDH1A1CYP3A4SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109574960-A | A kind of docetaxel derivative and its preparation method and application | 南京友怡医药科技有限公司 | 2019-04-05 | — | — | CN | claimed |
| CN-109574960-A | A kind of docetaxel derivative and its preparation method and application | 南京友怡医药科技有限公司 | 2019-04-05 | — | — | CN | disclosed |