Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 2/20 | 0.65 |
| ▸ | CTNNB1 | P35222 | 4/20 | 0.47 |
| ▸ | WNT3A | P56704 | 4/20 | 0.47 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.42 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.39 |
| ▸ | TTR | P02766 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Isopropylamine SCHEMBL11566190 | 0.93 | AKR1B1 (0.57) | AKR1B1CTNNB1WNT3AMAPK14CYP1A2 | |
| SCHEMBL11567137 | 0.88 | AKR1B1 (0.56) | AKR1B1CTNNB1WNT3AMAPK14ALDH1A1 | |
| Potassium Ion SCHEMBL11567753 | 0.88 | AKR1B1 (0.56) | AKR1B1CTNNB1WNT3AMAPK14ALDH1A1 | |
| SCHEMBL11659979 | 0.88 | AKR1B1 (0.56) | AKR1B1CTNNB1WNT3AMAPK14ALDH1A1 | |
| SCHEMBL11564660 | 0.88 | AKR1B1 (0.56) | AKR1B1CTNNB1WNT3AMAPK14ALDH1A1 | |
| SCHEMBL11565536 | 0.88 | AKR1B1 (0.56) | AKR1B1CTNNB1WNT3AMAPK14ALDH1A1 | |
| SCHEMBL11567084 | 0.86 | AKR1B1 (0.54) | AKR1B1CTNNB1WNT3AMAPK14RAB9A | |
| SCHEMBL11563438 | 0.86 | AKR1B1 (0.47) | AKR1B1CTNNB1WNT3ACYP1A2RAB9A | |
| SCHEMBL11566471 | 0.85 | AKR1B1 (0.60) | AKR1B1CTNNB1WNT3AMAPK14HIF1A | |
| SCHEMBL8880119 | 0.84 | AKR1B1 (0.66) | AKR1B1MAPK14LMNASRD5A2TTR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4130654-A | ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC, FRIBRINOLYTIC, MUSCLE RELAXANT | SYNTEX (U.S.A.) INC. (US) | 1978-12-19 | — | — | US | claimed |
| EP-0003422-A1 | Novel 4-(8X-6,11-dihydrodibenzo-(b,e)-thiepin-11-one-3-yl)-4-oxobutyric acids, methods of preparation, compositions and uses thereof | SYNTEX (U.S.A.) INC. (US) | 1979-08-08 | — | — | EP | disclosed |
| US-4130654-A | ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC, FRIBRINOLYTIC, MUSCLE RELAXANT | SYNTEX (U.S.A.) INC. (US) | 1978-12-19 | — | — | US | disclosed |