Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 6/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA4 | P22748 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | PKLR | P30613 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | F2 | P00734 | 1/20 | 0.35 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.35 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.35 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 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 | |
|---|---|---|---|---|
| SCHEMBL27693671 | 0.87 | ALDH1A1 (0.44) | TSHRALDH1A1HSD17B10TDP1PKM | |
| SCHEMBL27669965 | 0.85 | ADRA2C (0.42) | TSHRALDH1A1HSD17B10TDP1PKM | |
| SCHEMBL27743079 | 0.85 | PKM (0.41) | ALDH1A1HSD17B10PKMLMNAPKLR | |
| SCHEMBL27693489 | 0.84 | POLB (0.36) | TSHRALDH1A1TDP1PKMLMNA | |
| SCHEMBL27735019 | 0.84 | PKM (0.45) | TSHRALDH1A1HSD17B10PKMLMNA | |
| SCHEMBL27755443 | 0.82 | ALDH1A1 (0.40) | TSHRALDH1A1HSD17B10TDP1PKM | |
| SCHEMBL27754807 | 0.80 | TSHR (0.42) | TSHRALDH1A1HSD17B10PKMLMNA | |
| SCHEMBL27745075 | 0.80 | CA1 (0.43) | TSHRALDH1A1LMNACA12CA1 | |
| SCHEMBL27835248 | 0.78 | LMNA (0.37) | ALDH1A1LMNAPOLB | |
| Hydrochloric Acid SCHEMBL27739197 | 0.77 | CA2 (0.40) | ALDH1A1LMNACA12CA1CA2 |
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-101006076-B | Modulators of ATP-binding cassette transporters | VERTEX PHARMA | 2010-09-29 | — | — | CN | disclosed |
| CN-100528876-C | Pyrrazolo-pyrimidine derivatives | HOFFMANN LA ROCHE (CH) | 2009-08-19 | — | — | CN | disclosed |
| CN-101006076-A | Modulators of ATP-binding cassette transporters | VERTEX PHARMA (US) | 2007-07-25 | — | — | CN | disclosed |
| CN-1964973-A | Pyrrazolo-pyrimidine derivatives | HOFFMANN LA ROCHE (CH) | 2007-05-16 | — | — | CN | disclosed |