Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.58 |
| ▸ | CES1 | P23141 | 2/20 | 0.58 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CA4 | P22748 | 1/20 | 0.48 |
| ▸ | LTA4H | P09960 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 6/20 | 0.46 |
| ▸ | RAB9A | P51151 | 6/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.45 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL11301669 | 0.92 | CES2 (0.52) | CES2CES1CA1CA2MAPT | |
| SCHEMBL11302495 | 0.85 | ACHE (0.58) | CES2CES1CA1CA2NPC1 | |
| SCHEMBL10467675 | 0.84 | CES2 (0.53) | CES2CES1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL7116056 | 0.83 | CES2 (0.43) | CES2CES1CA1CA2CA4 | |
| SCHEMBL81262 | 0.81 | CES1 (0.41) | CES2CES1CA1CA2CA4 | |
| SCHEMBL11301731 | 0.80 | PARP10 (0.52) | CA1CA2LTA4HSMN1; SMN2PKM | |
| SCHEMBL10783782 | 0.78 | CES2 (0.54) | CES2CES1NPC1RAB9AMAPT | |
| SCHEMBL9102 | 0.77 | CES2 (0.69) | CES2CES1CA1CA2CA4 | |
| SCHEMBL7953 | 0.77 | CES2 (0.69) | CES2CES1CA1CA2CA4 | |
| SCHEMBL10518077 | 0.77 | CES2 (0.69) | CES2CES1CA1CA2CA4 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101558106-B | Control of surface properties by chemical modification | ISIS INNOVATION | 2012-10-17 | — | — | CN | claimed |
| CN-101558106-A | Control of surface properties by chemical modification | ISIS INNOVATION (GB) | 2009-10-14 | — | — | CN | claimed |
| CN-101558106-B | Control of surface properties by chemical modification | ISIS INNOVATION | 2012-10-17 | — | — | CN | disclosed |
| CN-101558106-A | Control of surface properties by chemical modification | ISIS INNOVATION (GB) | 2009-10-14 | — | — | CN | disclosed |
| US-4280819-A | FUEL ADDITIVES ALSO FOR JET FUELS | GULF RESEARCH & DEVELOPMENT COMPANY (US) | 1981-07-28 | — | — | US | disclosed |