Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR4A2 | P43354 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.47 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.47 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.47 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.43 |
| ▸ | TBXA2R | P21731 | 5/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL693428 | 0.78 | HSD17B10 (0.64) | NR4A2ALDH1A1GAACYP2C19HDAC3 | |
| SCHEMBL17003209 | 0.78 | HSD17B10 (0.64) | NR4A2ALDH1A1GAACYP2C19HDAC3 | |
| SCHEMBL11093573 | 0.78 | HTR3A (0.43) | ALDH1A1CYP1A2CYP2D6HSD17B10L3MBTL1 | |
| SCHEMBL10298173 | 0.76 | ALDH1A1 (0.41) | ALDH1A1CYP1A2CYP2D6HSD17B10MAPT | |
| SCHEMBL9681043 | 0.74 | KEAP1 (0.46) | NR4A2ALDH1A1GAACYP2C19HDAC3 | |
| SCHEMBL2758662 | 0.74 | ATM (0.45) | ALDH1A1CYP1A2CYP2D6HSD17B10L3MBTL1 | |
| SCHEMBL12092151 | 0.73 | SMN1; SMN2 (0.42) | ALDH1A1CYP1A2CYP2D6HSD17B10TBXA2R | |
| SCHEMBL30762088 | 0.72 | GRIN1 (0.66) | ALDH1A1GAACYP2D6HSD17B10KEAP1 | |
| SCHEMBL122370 | 0.72 | ALDH1A1 (0.43) | ALDH1A1CYP1A2CYP2D6HSD17B10L3MBTL1 | |
| SCHEMBL25363640 | 0.72 | CYP1A2 (0.47) | ALDH1A1CYP1A2CYP2D6HSD17B10MAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023107597-A2 | BICYCLIC HETEROAROMATIC AMIDE COMPOUNDS AND USES THEREOF | Kineta, Inc. (US) | 2023-06-15 | — | — | WO | disclosed |
| EP-3873884-A1 | QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS | GILEAD SCIENCES, INC. (US) | 2021-09-08 | — | — | EP | disclosed |
| EP-3873897-A1 | COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN | GILEAD SCIENCES, INC. (US) | 2021-09-08 | — | — | EP | disclosed |
| EP-2534152-A1 | MACROCYCLES AS FACTOR XIA INHIBITORS | Bristol-Myers Squibb Company (US) | 2012-12-19 | — | — | EP | disclosed |
| WO-2011100402-A1 | MACROCYCLES AS FACTOR XIA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-08-18 | — | — | WO | disclosed |