Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | FAAH | O00519 | 6/20 | 0.42 |
| ▸ | CES1 | P23141 | 5/20 | 0.42 |
| ▸ | NCEH1 | Q6PIU2 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL18647956 | 0.88 | EGFR (0.51) | EGFRALDH1A1KDM4EHPGDPKM | |
| SCHEMBL17663311 | 0.82 | ALDH1A1 (0.54) | EGFRALDH1A1KDM4EHPGDPKM | |
| SCHEMBL26777806 | 0.79 | ALDH1A1 (0.51) | EGFRALDH1A1KDM4EHPGDPKM | |
| SCHEMBL333164 | 0.79 | ALDH1A1 (0.59) | EGFRALDH1A1KDM4EHPGDPKM | |
| SCHEMBL17659943 | 0.78 | NPC1 (0.55) | EGFRALDH1A1KDM4EHPGDPKM | |
| SCHEMBL10553462 | 0.77 | KDM4E (0.59) | EGFRALDH1A1KDM4EHPGDPKM | |
| SCHEMBL14706802 | 0.77 | ALDH1A1 (0.61) | ALDH1A1KDM4EHPGDNPC1RAB9A | |
| SCHEMBL29011088 | 0.76 | RAB9A (0.63) | EGFRALDH1A1KDM4EHPGDNPC1 | |
| SCHEMBL11965505 | 0.76 | HTT (0.53) | EGFRALDH1A1KDM4EHPGDPKM | |
| SCHEMBL957491 | 0.74 | ALDH1A1 (0.57) | ALDH1A1KDM4EHPGDNPC1RAB9A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012076989-A1 | KETOLIDE COMPOUNDS | WOCKHARDT LIMITED (IN) | 2012-06-14 | — | — | WO | disclosed |