Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPRT1 | P00492 | 4/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3414799 | 1.00 | HPRT1 (0.48) | HPRT1ALDH1A1HSD17B10TDP1CYP2A6 | |
| SCHEMBL30329701 | 0.98 | HPRT1 (0.47) | HPRT1ALDH1A1HSD17B10TDP1CYP2A6 | |
| Ethane SCHEMBL27321160 | 0.97 | HPRT1 (0.45) | HPRT1ALDH1A1HSD17B10TDP1CYP2A6 | |
| Phenanthrene SCHEMBL28265186 | 0.93 | ALDH1A1 (0.44) | HPRT1ALDH1A1HSD17B10TDP1CYP2A6 | |
| SCHEMBL51496 | 0.91 | ALDH1A1 (0.41) | HPRT1ALDH1A1HSD17B10TDP1CYP2A6 | |
| SCHEMBL29490374 | 0.91 | ALDH1A1 (0.41) | HPRT1ALDH1A1HSD17B10TDP1CYP2A6 | |
| SCHEMBL5503788 | 0.91 | ALDH1A1 (0.41) | HPRT1ALDH1A1HSD17B10TDP1CYP2A6 | |
| SCHEMBL27514304 | 0.91 | HPRT1 (0.40) | HPRT1ALDH1A1HSD17B10TDP1CYP2A6 | |
| SCHEMBL30642055 | 0.89 | ALDH1A1 (0.39) | HPRT1ALDH1A1HSD17B10TDP1CYP2A6 | |
| Charcoal, Activated SCHEMBL30949786 | 0.89 | ALDH1A1 (0.39) | HPRT1ALDH1A1HSD17B10TDP1CYP2A6 |
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 |
|---|---|---|---|---|---|---|---|
| CN-118307501-A | Dihydrophenanthropyrrole compound, pharmaceutical composition and application thereof | 中国医学科学院药物研究所 | 2024-07-09 | — | — | CN | claimed |
| CN-118307501-A | Dihydrophenanthropyrrole compound, pharmaceutical composition and application thereof | 中国医学科学院药物研究所 | 2024-07-09 | — | — | CN | disclosed |