Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 4/20 | 0.73 |
| ▸ | TSHR | P16473 | 4/20 | 0.73 |
| ▸ | LMNA | P02545 | 4/20 | 0.73 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.73 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | XBP1 | P17861 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 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 | |
|---|---|---|---|---|
| Toluene SCHEMBL607202 | 0.97 | TSHR (0.69) | ACHETSHRLMNAALOX12TDP1 | |
| Toluene SCHEMBL28398458 | 0.93 | ACHE (0.73) | ACHETSHRLMNAALOX12TDP1 | |
| Toluene SCHEMBL87982 | 0.93 | ACHE (0.73) | ACHETSHRLMNAALOX12TDP1 | |
| Toluene SCHEMBL6242293 | 0.90 | ACHE (0.69) | ACHETSHRLMNAALOX12TDP1 | |
| Toluene SCHEMBL266608 | 0.88 | LMNA (0.65) | ACHETSHRLMNAALOX12TDP1 | |
| Toluene SCHEMBL10396121 | 0.88 | ACHE (0.65) | ACHETSHRLMNAALOX12TDP1 | |
| Toluene SCHEMBL5141031 | 0.86 | — | — | |
| Toluene SCHEMBL10989418 | 0.86 | — | — | |
| SCHEMBL12344943 | 0.86 | ACHE (1.00) | ACHETSHRLMNAALOX12TDP1 | |
| Toluene SCHEMBL175861 | 0.86 | ACHE (1.00) | ACHETSHRLMNAALOX12TDP1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111051295-B | Heterocyclic compounds and their use | 武田药品工业株式会社 | 2022-09-02 | — | — | CN | disclosed |
| CN-113402389-A | Preparation method for synthesizing isopropyl chloride by reacting isopropanol with phosgene | 上海祖玥新材料科技有限公司 | 2021-09-17 | — | — | CN | disclosed |
| CN-111051295-A | Heterocyclic compounds and their use | 武田药品工业株式会社 | 2020-04-21 | — | — | CN | disclosed |
| US-5668232-A | Process for the production of polyisoolefins | BAYER AG (DE) | 1997-09-16 | — | — | US | disclosed |