Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 1/20 | 0.42 |
| ▸ | AHR | P35869 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.36 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | MAP4K4 | O95819 | 3/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | LTA4H | P09960 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27588635 | 0.83 | TDP1 (0.50) | NPC1RAB9AALDH1A1CYP3A4KDM4E | |
| SCHEMBL21224463 | 0.80 | TAAR1 (0.47) | ALOX5BACE1ALDH1A1MAOBMAP4K4 | |
| SCHEMBL27606388 | 0.79 | ESR2 (0.47) | ALOX5ALDH1A1CYP3A4ESR2ALOX15 | |
| SCHEMBL3296186 | 0.78 | MAOA (0.48) | ALOX5BACE1ALDH1A1CYP3A4MAP4K4 | |
| SCHEMBL435265 | 0.78 | ALOX5 (0.45) | ALOX5BACE1AHRCYP1A2ALDH1A1 | |
| SCHEMBL27606311 | 0.76 | HRH3 (0.54) | CYP3A4MAOBCYP2A6LTA4HTAAR1 | |
| SCHEMBL15286621 | 0.75 | ALOX5 (0.42) | ALOX5BACE1AHRCYP1A2NPC1 | |
| SCHEMBL433164 | 0.75 | ALOX5 (0.42) | ALOX5BACE1AHRCYP1A2NPC1 | |
| SCHEMBL8662655 | 0.75 | ALOX5 (0.42) | ALOX5BACE1AHRCYP1A2NPC1 | |
| SCHEMBL512419 | 0.75 | ALOX5 (0.42) | ALOX5BACE1AHRCYP1A2NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1553900-A | Acylsemicarbazides as cyclin dependent kinase inhibitors useful as anti-cancer and anti-proliferative agents | ��ʱ��ʩ����ҩ��˾ | 2004-12-08 | — | — | CN | disclosed |