Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRD5A2 | P31213 | 1/20 | 0.43 |
| ▸ | TYMS | P04818 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.38 |
| ▸ | MRGPRX4 | Q96LA9 | 2/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.37 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.37 |
| ▸ | KIF11 | P52732 | 1/20 | 0.36 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.36 |
| ▸ | UNG | P13051 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Benzoic Acid SCHEMBL28332838 | 0.92 | CA12 (0.42) | SRD5A2CES2CA12CA1CA4 | |
| SCHEMBL25955785 | 0.89 | CA12 (0.42) | SRD5A2CA12CA1CA4CA7 | |
| SCHEMBL6930468 | 0.84 | CA12 (0.36) | SRD5A2CA12CA1CA4CA7 | |
| SCHEMBL49774 | 0.84 | ALOX15 (0.43) | TYMSCA12CA1CA4CA7 | |
| SCHEMBL29420736 | 0.84 | SRD5A2 (0.57) | SRD5A2CES2AKR1C3AKR1C2MRGPRX4 | |
| SCHEMBL545227 | 0.84 | SRD5A2 (0.57) | SRD5A2CES2AKR1C3AKR1C2MRGPRX4 | |
| SCHEMBL14839213 | 0.83 | RXRA (0.42) | SRD5A2CA12CA1CA4CA7 | |
| SCHEMBL9505714 | 0.82 | TYMS (0.42) | TYMSCA12CA1CA4CA7 | |
| SCHEMBL15699450 | 0.82 | AKR1C3 (0.51) | AKR1C3MRGPRX4POLBMEN1KMT2A | |
| SCHEMBL25955781 | 0.80 | CA12 (0.44) | TYMSMRGPRX4CA12CA1CA4 |
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-2023145758-A1 | METHOD FOR PRODUCING FLUORINE-CONTAINING PHTHALIC ACID DERIVATIVE, AND COMPOSITION | ダイキン工業株式会社 | 2023-08-03 | — | — | WO | disclosed |