Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.32 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.32 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.31 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6459499 | 1.00 | ALDH1A1 (0.37) | ALDH1A1TSHRMAPTCYP2D6RAB9A | |
| SCHEMBL6451408 | 0.90 | ALDH1A1 (0.38) | ALDH1A1TSHRMAPTCYP2D6RAB9A | |
| SCHEMBL6451402 | 0.90 | ALDH1A1 (0.38) | ALDH1A1TSHRMAPTCYP2D6RAB9A | |
| SCHEMBL6458553 | 0.86 | TSHR (0.38) | ALDH1A1TSHRMAPTCYP2D6RAB9A | |
| SCHEMBL6458547 | 0.86 | TSHR (0.38) | ALDH1A1TSHRMAPTCYP2D6RAB9A | |
| SCHEMBL6458455 | 0.84 | TSHR (0.37) | ALDH1A1TSHRMAPTCYP2D6RAB9A | |
| SCHEMBL6458451 | 0.84 | TSHR (0.37) | ALDH1A1TSHRMAPTCYP2D6RAB9A | |
| SCHEMBL6456728 | 0.83 | CA12 (0.40) | ALDH1A1TSHRMAPTCA12CA1 | |
| SCHEMBL6456722 | 0.83 | CA12 (0.40) | ALDH1A1TSHRMAPTCA12CA1 | |
| SCHEMBL6453208 | 0.82 | RAB9A (0.39) | ALDH1A1TSHRMAPTCYP2D6RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| US-6913797-B1 | Decahydronaphthalene derivative | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2005-07-05 | — | — | US | disclosed |
| EP-1108700-A1 | DECAHYDRONAPHTHALENE DERIVATIVE | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2001-06-20 | — | — | EP | disclosed |