Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | HCAR2 | Q8TDS4 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | MME | P08473 | 1/20 | 0.33 |
| ▸ | PLA2G2A | P14555 | 2/20 | 0.32 |
| ▸ | PLA2G5 | P39877 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.31 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.31 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | NAAA | Q02083 | 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 | |
|---|---|---|---|---|
| SCHEMBL7375873 | 0.82 | ALDH1A1 (0.39) | ATMHCAR2ALDH1A1HPGDTSHR | |
| SCHEMBL7806878 | 0.81 | ALDH1A1 (0.38) | ATMHCAR2ALDH1A1HPGDTSHR | |
| SCHEMBL9516676 | 0.75 | ALDH1A1 (0.33) | ATMHCAR2ALDH1A1HPGDTSHR | |
| SCHEMBL9516682 | 0.75 | ALDH1A1 (0.33) | ATMHCAR2ALDH1A1HPGDTSHR | |
| SCHEMBL5422105 | 0.72 | ALDH1A1 (0.41) | ATMHCAR2ALDH1A1HPGDTSHR | |
| SCHEMBL2448755 | 0.72 | ALDH1A1 (0.38) | ATMHCAR2ALDH1A1HPGDTSHR | |
| SCHEMBL8591963 | 0.72 | ALDH1A1 (0.38) | ATMHCAR2ALDH1A1HPGDTSHR | |
| SCHEMBL9814906 | 0.71 | RNPEP (0.38) | ALDH1A1MMEMAPTSLC1A2SLC1A1 | |
| SCHEMBL9814897 | 0.71 | RNPEP (0.38) | ALDH1A1MMEMAPTSLC1A2SLC1A1 | |
| SCHEMBL5077756 | 0.70 | ALDH1A1 (0.42) | ATMHCAR2ALDH1A1HPGDTSHR |
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 |
|---|---|---|---|---|---|---|---|
| CN-1035056-C | Cyclic neurokinin A antagonists | MERRELL DOW PHARMA (US) | 1997-06-04 | — | — | CN | disclosed |
| CN-1049353-A | The antagonist of cyclic neurokinin A | MERRELL DOW PHARMA (US) | 1991-02-20 | — | — | CN | disclosed |