Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | TSHR | P16473 | 2/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.51 |
| ▸ | GAA | P10253 | 2/20 | 0.51 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.43 |
| ▸ | RHOA | P61586 | 1/20 | 0.41 |
| ▸ | CDC25B | P30305 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | LIG1 | P18858 | 1/20 | 0.38 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.38 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | CDC25A | P30304 | 1/20 | 0.38 |
| ▸ | CDC25C | P30307 | 1/20 | 0.38 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.38 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL15389482 | 0.94 | CYP3A4 (0.65) | CYP3A4ALDH1A1TSHRHSD17B10KDM4E | |
| SCHEMBL15389484 | 0.89 | CYP3A4 (0.58) | CYP3A4ALDH1A1TSHRHSD17B10KDM4E | |
| SCHEMBL2115719 | 0.86 | CYP3A4 (0.72) | CYP3A4ALDH1A1TSHRHSD17B10KDM4E | |
| SCHEMBL15396041 | 0.84 | CYP3A4 (0.73) | CYP3A4ALDH1A1TSHRHSD17B10KDM4E | |
| SCHEMBL6383851 | 0.83 | CYP3A4 (0.58) | CYP3A4ALDH1A1TSHRHSD17B10KDM4E | |
| SCHEMBL960227 | 0.82 | CYP3A4 (0.76) | CYP3A4ALDH1A1TSHRHSD17B10KDM4E | |
| Naphthalene SCHEMBL28123358 | 0.82 | CYP3A4 (0.89) | CYP3A4ALDH1A1TSHRHSD17B10FGFR1 | |
| SCHEMBL16371573 | 0.81 | CYP3A4 (1.00) | CYP3A4ALDH1A1TSHRHSD17B10KDM4E | |
| SCHEMBL29362146 | 0.81 | CYP3A4 (1.00) | CYP3A4ALDH1A1TSHRHSD17B10KDM4E | |
| SCHEMBL27474785 | 0.81 | CYP3A4 (1.00) | CYP3A4ALDH1A1TSHRHSD17B10KDM4E |
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-105899515-A | Derivatives of uncialamycin, method of synthesis and use thereof as antitumor agents | 威廉马歇莱思大学 | 2016-08-24 | — | — | CN | disclosed |
| EP-0579510-A2 | Propylene polymers and process for preparing the same | Mitsubishi Chemical Corporation (JP) | 1994-01-19 | — | — | EP | disclosed |