Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
| ▸ | LIPE | Q05469 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | NAPRT | Q6XQN6 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.34 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3900187 | 0.90 | CA1 (0.41) | LIPECA1CA2TDP1ALDH1A1 | |
| Pyridine SCHEMBL1581039 | 0.78 | CA1 (0.46) | CA1CA2SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL23535576 | 0.75 | LIPE (0.39) | LIPECA1CA2TDP1LMNA | |
| Pyridine SCHEMBL29132336 | 0.73 | ENPP2 (0.39) | CA1CA2TDP1KMT2ANAPRT | |
| Pyridine SCHEMBL29154353 | 0.71 | TSHR (0.47) | TDP1NAPRTTSHR | |
| SCHEMBL3796769 | 0.70 | CTRB1 (0.47) | CA1CA2KMT2ACYP2C9CYP2C19 | |
| SCHEMBL1356582 | 0.70 | CA1 (0.41) | LIPECA1CA2TDP1LMNA | |
| Pyridine SCHEMBL638445 | 0.69 | CYP19A1 (0.56) | LMNAKMT2ACYP19A1ALDH1A1GAA | |
| SCHEMBL3901460 | 0.69 | TP53 (0.42) | TDP1CYP3A4ALDH1A1MAPTLTA4H | |
| Ethylbenzene SCHEMBL8652916 | 0.69 | TP53 (0.70) | SLC6A2SLC6A4SLC6A3TDP1POLB |
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 |
|---|---|---|---|---|---|---|---|
| CN-116973436-A | Mass spectrum imaging detection method for compound containing ortho-diphenol hydroxyl functional group in tissue | 中国科学院大连化学物理研究所 | 2023-10-31 | — | — | CN | claimed |