Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | UNG | P13051 | 1/20 | 0.63 |
| ▸ | CA12 | O43570 | 1/20 | 0.58 |
| ▸ | CA1 | P00915 | 1/20 | 0.58 |
| ▸ | CA2 | P00918 | 1/20 | 0.58 |
| ▸ | CA6 | P23280 | 1/20 | 0.58 |
| ▸ | CA9 | Q16790 | 1/20 | 0.58 |
| ▸ | KMO | O15229 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | DAO | P14920 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.50 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.50 |
| ▸ | ERN1 | O75460 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| Isophthalic Acid SCHEMBL11530535 | 1.00 | UNG (0.63) | UNGCA12CA1CA2CA6 | |
| Isophthalic Acid SCHEMBL27747488 | 0.92 | CA12 (0.55) | UNGCA12CA1CA2CA6 | |
| Isophthalic Acid SCHEMBL11135251 | 0.88 | UNG (0.65) | UNGCA12CA1CA2CA6 | |
| Isophthalic Acid SCHEMBL4882153 | 0.87 | CA12 (0.65) | UNGCA12CA1CA2CA6 | |
| Isophthalic Acid SCHEMBL4614187 | 0.87 | CA12 (0.65) | UNGCA12CA1CA2CA6 | |
| Isophthalic Acid SCHEMBL22462 | 0.87 | CA12 (0.71) | UNGCA12CA1CA2CA6 | |
| Isophthalic Acid SCHEMBL147366 | 0.87 | CA12 (0.71) | UNGCA12CA1CA2CA6 | |
| Isophthalic Acid SCHEMBL20500514 | 0.87 | CA12 (0.71) | UNGCA12CA1CA2CA6 | |
| Isophthalic Acid SCHEMBL2512374 | 0.87 | CA12 (0.71) | UNGCA12CA1CA2CA6 | |
| Isophthalic Acid SCHEMBL28756611 | 0.87 | CA12 (0.71) | UNGCA12CA1CA2CA6 |
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-2021120982-A1 | METHOD FOR PREPARING M-PHENYLENEDIAMINE | 上海交通大学 | 2021-06-24 | — | — | WO | disclosed |