Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
| ▸ | RAD52 | P43351 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.41 |
| ▸ | NQO2 | P16083 | 3/20 | 0.40 |
| ▸ | IDO1 | P14902 | 2/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | AR | P10275 | 1/20 | 0.38 |
| ▸ | VDR | P11473 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA3 | P07451 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | CA6 | P23280 | 1/20 | 0.38 |
| ▸ | CA5A | P35218 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5461317 | 0.98 | ALDH1A1 (0.43) | ALDH1A1MAPTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL7136159 | 0.89 | KAT2B (0.48) | ALDH1A1MAPTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL6369704 | 0.86 | NQO2 (0.47) | ALDH1A1MAPTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL11935076 | 0.86 | NQO2 (0.49) | ALDH1A1MAPTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL6369919 | 0.85 | NQO2 (0.54) | ALDH1A1MAPTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL6377800 | 0.85 | NQO2 (0.54) | ALDH1A1MAPTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL5467473 | 0.85 | MAPT (0.45) | ALDH1A1MAPTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL15196187 | 0.85 | ALDH1A1 (0.45) | ALDH1A1MAPTCYP1A2CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL4955142 | 0.85 | NQO2 (0.46) | ALDH1A1MAPTCYP1A2CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL4953305 | 0.83 | NQO2 (0.53) | ALDH1A1MAPTCYP1A2CYP2C9CYP2C19 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022192162-A1 | NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE | FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) | 2022-09-15 | — | — | WO | disclosed |