Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | LTA4H | P09960 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | CA5A | P35218 | 1/20 | 0.37 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.37 |
| ▸ | CCR6 | P51684 | 2/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | KCNN4 | O15554 | 2/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.36 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.36 |
| ▸ | BAX | Q07812 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | SRC | P12931 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL30881614 | 0.76 | THRB (0.44) | ALDH1A1ALOX15TSHRCYP1A2CYP2C19 | |
| SCHEMBL1356943 | 0.76 | ALDH1A1 (0.46) | ALDH1A1ALOX15TSHRLTA4HCYP1A2 | |
| SCHEMBL16663875 | 0.76 | LTA4H (0.45) | ALDH1A1ALOX15TSHRLTA4HCYP2C9 | |
| SCHEMBL18644835 | 0.76 | LTA4H (0.45) | ALDH1A1ALOX15TSHRLTA4HCYP2C9 | |
| SCHEMBL2862513 | 0.75 | ALDH1A1 (0.35) | ALDH1A1ALOX15TSHRLTA4HCYP1A2 | |
| SCHEMBL6419695 | 0.74 | TSHR (0.43) | ALDH1A1ALOX15TSHRLTA4HMAPK1 | |
| SCHEMBL5875530 | 0.74 | TSHR (0.43) | ALDH1A1ALOX15TSHRLTA4HMAPK1 | |
| SCHEMBL3407529 | 0.74 | TSHR (0.43) | ALDH1A1ALOX15TSHRLTA4HMAPK1 | |
| SCHEMBL11545728 | 0.73 | ALDH1A1 (0.41) | ALDH1A1ALOX15TSHRLTA4HCCR6 | |
| SCHEMBL10878211 | 0.73 | CYP1A2 (0.43) | ALDH1A1ALOX15TSHRCYP1A2CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| US-5756650-A | COMPOSITION COMPRISING POLYAMIC ACID, CURE ACCELERATOR SELECTED FROM GROUP CONSISTING OF NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, AMINO ACID COMPOUND, AROMATIC COMPOUND HAVING TWO OR MORE HYDROXYL GROUPS | KABUSHIKI KAISHA TOSHIBA (JP) | 1998-05-26 | — | — | US | disclosed |
| US-4306083-A | Multiphase oxidation of alcohol to aldehyde | THE DOW CHEMICAL COMPANY (US) | 1981-12-15 | — | — | US | disclosed |