Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | TXN | P10599 | 1/20 | 0.37 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.35 |
| ▸ | FPR2 | P25090 | 2/20 | 0.33 |
| ▸ | MMP1 | P03956 | 1/20 | 0.31 |
| ▸ | MMP3 | P08254 | 1/20 | 0.31 |
| ▸ | MMP7 | P09237 | 1/20 | 0.31 |
| ▸ | PTGES | O14684 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.30 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.30 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.30 |
| ▸ | GLA | P06280 | 1/20 | 0.30 |
| ▸ | BRAF | P15056 | 1/20 | 0.30 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7360934 | 0.81 | NPC1 (0.44) | NPC1RAB9AKMT2AHSPA5FPR2 | |
| SCHEMBL6809047 | 0.76 | NPC1 (0.45) | NPC1RAB9AKMT2AHSPA5ALDH1A1 | |
| SCHEMBL2321138 | 0.75 | — | — | |
| SCHEMBL6809037 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL26916941 | 0.73 | NPC1 (0.49) | NPC1RAB9AKMT2AHSPA5ALDH1A1 | |
| Hydrochloric Acid SCHEMBL26916942 | 0.73 | NPC1 (0.49) | NPC1RAB9AKMT2AHSPA5ALDH1A1 | |
| SCHEMBL11678609 | 0.73 | NPC1 (0.45) | NPC1RAB9AKMT2AHSPA5MMP1 | |
| SCHEMBL647802 | 0.71 | NPC1 (0.44) | NPC1RAB9ATXNTXNRD1KMT2A | |
| SCHEMBL573387 | 0.71 | — | — | |
| SCHEMBL7356324 | 0.71 | KMT2A (0.37) | NPC1RAB9ATXNTXNRD1KMT2A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0722321-A4 | SULFOXIMINE AND SULFODIIMINE MATRIX METALLOPROTEINASE INHIBITORS | UNIV FLORIDA STATE (US) | 1998-04-15 | — | — | EP | disclosed |
| EP-0722436-A4 | MERCAPTOSULFIDE METALLOPROTEINASE INHIBITORS | UNIV FLORIDA STATE (US) | 1996-11-20 | — | — | EP | disclosed |
| EP-0722321-A1 | SULFOXIMINE AND SULFODIIMINE MATRIX METALLOPROTEINASE INHIBITORS | FLORIDA STATE UNIVERSITY (US) | 1996-07-24 | — | — | EP | disclosed |
| EP-0722436-A1 | MERCAPTOSULFIDE METALLOPROTEINASE INHIBITORS | FLORIDA STATE UNIVERSITY (US) | 1996-07-24 | — | — | EP | disclosed |
| WO-1995009833-A1 | MERCAPTOSULFIDE METALLOPROTEINASE INHIBITORS | FLORIDA STATE UNIVERSITY (US) | 1995-04-13 | — | — | WO | disclosed |
| WO-1995009620-A1 | SULFOXIMINE AND SULFODIIMINE MATRIX METALLOPROTEINASE INHIBITORS | FLORIDA STATE UNIVERSITY (US) | 1995-04-13 | — | — | WO | disclosed |