Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.60 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 7/20 | 0.46 |
| ▸ | CA2 | P00918 | 7/20 | 0.46 |
| ▸ | IDO1 | P14902 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 5/20 | 0.45 |
| ▸ | MPO | P05164 | 2/20 | 0.45 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | GMNN | O75496 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | EGFR | P00533 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | FYN | P06241 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL30909265 | 0.78 | AKR1B1 (0.43) | AKR1B1HSPA5TSHRHIF1ACYP2D6 | |
| SCHEMBL4034907 | 0.76 | AKR1B1 (0.68) | AKR1B1HSPA5TSHRHIF1ACYP2D6 | |
| SCHEMBL30451705 | 0.75 | AKR1B1 (0.74) | AKR1B1HSPA5TSHRHIF1ACYP2D6 | |
| SCHEMBL1737314 | 0.75 | AKR1B1 (0.74) | AKR1B1HSPA5TSHRHIF1ACYP2D6 | |
| SCHEMBL30449014 | 0.75 | AKR1B1 (1.00) | AKR1B1HSPA5TSHRHIF1ACYP2D6 | |
| SCHEMBL7497072 | 0.75 | AKR1B1 (0.60) | AKR1B1HSPA5TSHRHIF1ACYP2D6 | |
| SCHEMBL72309 | 0.75 | AKR1B1 (1.00) | AKR1B1HSPA5TSHRHIF1ACYP2D6 | |
| SCHEMBL6368751 | 0.75 | AKR1B1 (0.60) | AKR1B1HSPA5TSHRHIF1ACYP2D6 | |
| SCHEMBL623209 | 0.74 | — | — | |
| SCHEMBL761723 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1304924-A2 | COMPOSITIONS FOR REPELLING CRAWLING INSECTS | Bayer Aktiengesellschaft (DE) | 2003-05-02 | — | — | EP | disclosed |
| WO-2002005646-A2 | COMPOSITIONS FOR REPELLING CRAWLING INSECTS | S.C. JOHNSON & SON, INC. (US) (US) | 2002-01-24 | — | — | WO | disclosed |