Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | MMP1 | P03956 | 1/20 | 0.35 |
| ▸ | MMP9 | P14780 | 1/20 | 0.35 |
| ▸ | MMP13 | P45452 | 1/20 | 0.35 |
| ▸ | FDPS | P14324 | 3/20 | 0.33 |
| ▸ | FAAH | O00519 | 3/20 | 0.32 |
| ▸ | CES2 | O00748 | 2/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | SMPD1 | P17405 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.31 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | XBP1 | P17861 | 1/20 | 0.31 |
| ▸ | S1PR1 | P21453 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8555890 | 0.89 | NOS2 (0.37) | CA2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL8555892 | 0.89 | NOS2 (0.37) | CA2ALDH1A1 | |
| SCHEMBL6007753 | 0.82 | GGT1 (0.33) | ALDH1A1 | |
| SCHEMBL8316078 | 0.77 | CA2 (0.39) | CA2MMP1MMP9MMP13FDPS | |
| SCHEMBL1621319 | 0.72 | MMP1 (0.38) | CA2MMP1MMP9MMP13FAAH | |
| SCHEMBL10869749 | 0.69 | FDPS (0.39) | FDPSSMPD1ALDH1A1ALOX15AKR1B1 | |
| SCHEMBL28791221 | 0.69 | FDPS (0.39) | FDPSSMPD1ALDH1A1TP53ALOX15 | |
| SCHEMBL8601347 | 0.69 | ARG1 (0.33) | SMN1; SMN2 | |
| SCHEMBL7372440 | 0.67 | ARG1 (0.33) | — | |
| SCHEMBL27363350 | 0.67 | SMPD1 (0.43) | FDPSCES2SMPD1ALDH1A1HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1996038426-A1 | NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-12-05 | — | — | WO | claimed |
| EP-0920345-A4 | IONTOPHORETIC DELIVERY OF CELL ADHESION INHIBITORS | VYTERIS INC (US) | 2006-05-10 | — | — | EP | disclosed |
| EP-0920345-A1 | IONTOPHORETIC DELIVERY OF CELL ADHESION INHIBITORS | Becton Dickinson and Company (US) | 1999-06-09 | — | — | EP | disclosed |
| WO-1997048443-A1 | IONTOPHORETIC DELIVERY OF CELL ADHESION INHIBITORS | BECTON DICKINSON AND COMPANY (US) | 1997-12-24 | — | — | WO | disclosed |