Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 4/20 | 0.43 |
| ▸ | CA2 | P00918 | 4/20 | 0.43 |
| ▸ | CA9 | Q16790 | 4/20 | 0.43 |
| ▸ | CA1 | P00915 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | FDPS | P14324 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.37 |
| ▸ | MLYCD | O95822 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | MMP1 | P03956 | 1/20 | 0.35 |
| ▸ | MMP2 | P08253 | 1/20 | 0.35 |
| ▸ | MMP3 | P08254 | 1/20 | 0.35 |
| ▸ | MMP8 | P22894 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.34 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.34 |
| ▸ | P2RX4 | Q99571 | 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 | |
|---|---|---|---|---|
| SCHEMBL4146961 | 0.89 | CA1 (0.48) | ALDH1A1HPGDCA12CA2CA9 | |
| SCHEMBL14229999 | 0.88 | MMP1 (0.50) | ALDH1A1HPGDCA12CA2CA9 | |
| SCHEMBL5209653 | 0.86 | ALDH1A1 (0.44) | ALDH1A1HPGDCA12CA2CA9 | |
| SCHEMBL14229097 | 0.85 | LMNA (0.48) | ALDH1A1HPGDCA12CA2CA9 | |
| SCHEMBL19596149 | 0.85 | CA12 (0.45) | ALDH1A1HPGDCA12CA2CA9 | |
| SCHEMBL5208345 | 0.83 | ALDH1A1 (0.42) | ALDH1A1HPGDCA12CA2CA9 | |
| SCHEMBL1819894 | 0.82 | ALDH1A1 (0.67) | ALDH1A1HPGDCA12CA2CA9 | |
| SCHEMBL5208331 | 0.82 | CA12 (0.42) | ALDH1A1HPGDCA12CA2CA9 | |
| SCHEMBL1517879 | 0.81 | ALDH1A1 (0.55) | ALDH1A1HPGDCA12CA2CA9 | |
| SCHEMBL9306530 | 0.80 | ALDH1A1 (0.64) | ALDH1A1HPGDCA12CA2CA9 |
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-7365093-B2 | Endothelin antagonists | ABBOTT LABORATORIES (US) | 2008-04-29 | — | — | US | disclosed |
| US-7208517-B1 | Endothelin antagonists | ABBOTT LABORTORIES (US) | 2007-04-24 | — | — | US | disclosed |