Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 4/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | ALPI | P09923 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | XIAP | P98170 | 1/20 | 0.39 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.39 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Iodide SCHEMBL11358945 | 0.77 | ALDH1A1 (0.47) | CYP1A2ALDH1A1TSHRCYP2C19CYP2D6 | |
| SCHEMBL1127361 | 0.72 | CYP1A2 (0.53) | CYP1A2ALDH1A1TSHRCYP2C19CYP2D6 | |
| SCHEMBL26620702 | 0.72 | CYP2C19 (0.48) | CYP1A2ALDH1A1TSHRCYP2C19CYP2D6 | |
| SCHEMBL10693996 | 0.71 | ALOX5 (0.61) | PTGS1 | |
| SCHEMBL27946805 | 0.71 | SLC6A2 (0.48) | CYP1A2ALDH1A1TSHRCYP2D6MAPT | |
| SCHEMBL27813115 | 0.71 | SLC6A2 (0.48) | CYP1A2ALDH1A1TSHRCYP2D6MAPT | |
| SCHEMBL9504585 | 0.71 | ALDH1A1 (0.46) | CYP1A2ALDH1A1TSHRCYP2C19CYP2D6 | |
| Acetic Acid SCHEMBL28615316 | 0.70 | CYP3A4 (0.51) | CYP1A2ALDH1A1TSHRCYP2C19SMN1; SMN2 | |
| SCHEMBL27833164 | 0.70 | SLC6A2 (0.47) | CYP1A2ALDH1A1TSHRCYP2D6MAPT | |
| SCHEMBL3249970 | 0.70 | MAOA (0.50) | CYP1A2ALDH1A1TSHRCYP2D6MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-0196674-A2 | Hydroxamates as modulators of arachidonic acid metabolic pathways | USV PHARMACEUTICAL CORPORATION (US) | 1986-10-08 | — | — | EP | claimed |
| US-4792560-A | ANTIALLERGENS; ANTIINFLAMMATORY AGENTS | RORER PHARMACEUTICAL CORPORATION (US) | 1988-12-20 | — | — | US | disclosed |