Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 2/20 | 0.34 |
| ▸ | CES1 | P23141 | 2/20 | 0.34 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | DAO | P14920 | 2/20 | 0.33 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.33 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.33 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 3/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2075524 | 0.79 | ALDH1A1 (0.38) | CYP2A6ALOX12CES2CES1ALDH1A1 | |
| SCHEMBL15880060 | 0.77 | NOTUM (0.47) | CES2CES1NOTUMALDH1A1KMT2A | |
| SCHEMBL3700594 | 0.77 | TSHR (0.39) | CYP2A6ALOX12NOTUMALDH1A1KMT2A | |
| SCHEMBL9956507 | 0.77 | CES2 (0.38) | CYP2A6ALOX12CES2CES1NOTUM | |
| Hydrochloric Acid SCHEMBL28200481 | 0.75 | TSHR (0.38) | ALDH1A1KMT2AKDM4EMEN1HPGD | |
| SCHEMBL8768144 | 0.73 | HPGD (0.34) | CES2CES1NOTUMALDH1A1KMT2A | |
| SCHEMBL3172447 | 0.73 | TSHR (0.50) | CES2CES1ALDH1A1KMT2ADAO | |
| SCHEMBL23723572 | 0.72 | ALDH1A1 (0.45) | ALDH1A1KMT2AMEN1RAB9A | |
| SCHEMBL28323036 | 0.72 | P2RX4 (0.44) | ALDH1A1KMT2ANR4A2KDM4EMEN1 | |
| SCHEMBL17797526 | 0.72 | CES1 (0.40) | CES1ALDH1A1KDM4E |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0998488-B1 | POLYOL-AMINO ACID COMPOUNDS HAVING ANTI-HELICOBACTER PYLORI ACTIVITY | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2004-03-17 | — | — | EP | disclosed |
| US-6423869-B1 | BACTERICIDES, ANTIULCER AGENTS | TAKEDA CHEMICAL INDUSTRIES, INC. (JP) | 2002-07-23 | — | — | US | disclosed |
| EP-0998488-A1 | POLYOL-AMINO ACID COMPOUNDS HAVING ANTI-HELICOBACTER PYLORI ACTIVITY | Takeda Chemical Industries, Ltd. (JP) | 2000-05-10 | — | — | EP | disclosed |
| WO-1999002549-A1 | POLYOL-AMINO ACID COMPOUNDS HAVING ANTI-HELICOBACTER PYLORI ACTIVITY | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1999-01-21 | — | — | WO | disclosed |