Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.33 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.33 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.33 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | ALB | P02768 | 1/20 | 0.32 |
| ▸ | G6PD | P11413 | 1/20 | 0.32 |
| ▸ | CASP7 | P55210 | 1/20 | 0.32 |
| ▸ | CASP6 | P55212 | 1/20 | 0.32 |
| ▸ | MMP2 | P08253 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 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 | |
|---|---|---|---|---|
| SCHEMBL1748858 | 0.89 | CYP2B6 (0.42) | ALDH1A1ALOX15CYP2B6TSHRNR4A1 | |
| SCHEMBL30629173 | 0.89 | CYP2B6 (0.42) | ALDH1A1ALOX15CYP2B6TSHRNR4A1 | |
| Hydrochloric Acid SCHEMBL6245847 | 0.87 | CYP2B6 (0.41) | ALDH1A1ALOX15CYP2B6TSHRNR4A1 | |
| Propionic Acid SCHEMBL28248103 | 0.81 | CYP2B6 (0.37) | ALDH1A1ALOX15CYP2B6TSHRNR4A1 | |
| SCHEMBL27749929 | 0.76 | ALDH1A1 (0.39) | ALDH1A1ALOX15TSHRNR4A1NR4A2 | |
| SCHEMBL30066970 | 0.74 | PARP1 (0.50) | ALDH1A1ALOX15CYP2B6TSHRCYP1A1 | |
| SCHEMBL5322267 | 0.74 | PARP1 (0.50) | ALDH1A1ALOX15CYP2B6TSHRCYP1A1 | |
| SCHEMBL7416857 | 0.74 | PARP1 (0.36) | ALDH1A1ALOX15TSHRNR4A1NR4A2 | |
| Phthalic Acid SCHEMBL29149670 | 0.71 | ALDH1A1 (0.47) | ALDH1A1ALOX15CYP2B6HSD17B10KDM4E | |
| SCHEMBL31058480 | 0.71 | CYP2B6 (0.39) | ALDH1A1CYP2B6CYP1A1CYP1A2KDM4E |
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-5288731-A | Antiemetics, antiserotonine agents | RHONE-POULENC RORER PHARMACEUTICALS INC. (US) | 1994-02-22 | — | — | US | disclosed |
| WO-1992009284-A1 | 2,6-METHANO-2H-1-BENZOXOCINCARBOXAMIDES AS 5-HT3-ANTAGONISTS | RHONE-POULENC RORER INTERNATIONAL (HOLDINGS), INC. (US) | 1992-06-11 | — | — | WO | disclosed |