Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | NT5E | P21589 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | DHFR | P00374 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 3/20 | 0.43 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.34 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.34 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | EIF2AK3 | Q9NZJ5 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL604399 | 0.81 | GAA (0.54) | ALDH1A1TDP1GAAKDM4CAKR1C3 | |
| Acetic Acid SCHEMBL2282444 | 0.71 | TSHR (0.78) | ALDH1A1TSHRNT5ESMN1; SMN2TDP1 | |
| Acetic Acid SCHEMBL27344101 | 0.71 | TSHR (0.78) | ALDH1A1TSHRNT5ESMN1; SMN2TDP1 | |
| Bicarbonate SCHEMBL11488986 | 0.71 | TSHR (0.86) | ALDH1A1TSHRNT5ESMN1; SMN2TDP1 | |
| Acetoacetic Acid SCHEMBL11037151 | 0.69 | TSHR (0.62) | ALDH1A1TSHRNT5ESMN1; SMN2TDP1 | |
| Acetone SCHEMBL27689791 | 0.69 | TSHR (0.82) | ALDH1A1TSHRNT5ESMN1; SMN2TDP1 | |
| Oxalic Acid SCHEMBL27261783 | 0.69 | TSHR (0.82) | ALDH1A1TSHRNT5ESMN1; SMN2TDP1 | |
| Methyl Alcohol SCHEMBL27699308 | 0.69 | TSHR (0.90) | ALDH1A1TSHRNT5ESMN1; SMN2TDP1 | |
| Benzene SCHEMBL27671391 | 0.69 | TSHR (0.90) | ALDH1A1TSHRNT5ESMN1; SMN2TDP1 | |
| SCHEMBL24407 | 0.69 | TSHR (1.00) | ALDH1A1TSHRNT5ESMN1; SMN2TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5116957-A | REACTIVE AZO DYESTUFFS HAVING A FLUOROTRIAZINE GROUP AND IMPROVED FIXATION PROPERTIES | BAYER AKTIENGESELLSCHAFT (DE) | 1992-05-26 | — | — | US | disclosed |