Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | LTA4H | P09960 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | RGS12 | O14924 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Naphthalene SCHEMBL28243813 | 0.98 | TSHR (0.55) | TSHRALDH1A1TDP1HTTLTA4H | |
| Naphthalene SCHEMBL27993437 | 0.98 | TSHR (0.62) | TSHRALDH1A1TDP1HTTLTA4H | |
| Anthracene SCHEMBL27548394 | 0.91 | TSHR (0.52) | TSHRALDH1A1TDP1HTTLTA4H | |
| Naphthalene SCHEMBL3417714 | 0.87 | HTT (0.54) | TSHRHTTLTA4HNPC1LMNA | |
| Pyrene SCHEMBL27607693 | 0.86 | TSHR (0.52) | TSHRALDH1A1TDP1HTTKCNH2 | |
| SCHEMBL27565616 | 0.85 | ALDH1A1 (0.46) | TSHRALDH1A1TDP1HTTLTA4H | |
| Pyrene SCHEMBL28160595 | 0.84 | ALDH1A1 (0.50) | TSHRALDH1A1TDP1HTTNPC1 | |
| Tetradecane SCHEMBL9931457 | 0.84 | HTT (0.57) | TSHRALDH1A1HTTNPC1LMNA | |
| Naphthalene SCHEMBL11775581 | 0.84 | HTT (0.57) | TSHRALDH1A1HTTNPC1LMNA | |
| Decane SCHEMBL11776802 | 0.84 | HTT (0.57) | TSHRALDH1A1HTTNPC1LMNA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108794468-A | A kind of preparation method of Tetrahydropyridoindocompounds compounds | 新发药业有限公司 | 2018-11-13 | — | — | CN | disclosed |
| CN-1286810-C | 2-acyl indol derivatives and their use as anti-tumour agents | BAKST HEALTH AG (CH) | 2006-11-29 | — | — | CN | disclosed |
| CN-1431997-A | 2-acylindole derivatives and their use as antitumor agents | BAKST HEALTH AG (CH) | 2003-07-23 | — | — | CN | disclosed |
| CN-1024668-C | Preparation method of 2- (2-isoxazolidinyl) -2-tetrahydrofuran carboxylic acid derivative | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1994-05-25 | — | — | CN | disclosed |
| CN-85109633-A | Process for the preparation of antibiotic derivatives | — | 1987-01-07 | — | — | CN | disclosed |