Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | MMP12 | P39900 | 2/20 | 0.50 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.45 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.42 |
| ▸ | ACACA | Q13085 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2226492 | 0.83 | HDAC6 (0.43) | PTGS1GAAMMP12ABCC4LMNA | |
| SCHEMBL11261403 | 0.83 | HDAC6 (0.43) | PTGS1GAAMMP12ABCC4LMNA | |
| SCHEMBL20604117 | 0.82 | FFAR1 (0.53) | PTGS1MMP12ABCC4LMNATSHR | |
| SCHEMBL2225328 | 0.80 | CTBP2 (0.51) | MMP12HDAC6CYP11B1CYP11B2NPC1 | |
| SCHEMBL2225325 | 0.80 | CTBP2 (0.51) | MMP12HDAC6CYP11B1CYP11B2NPC1 | |
| SCHEMBL27342228 | 0.79 | PTGS2 (0.44) | PTGDR2 | |
| SCHEMBL988896 | 0.79 | CYP11B1 (0.49) | MMP12TSHRHDAC6CYP11B1CYP11B2 | |
| SCHEMBL11828105 | 0.77 | MMP12 (0.48) | MMP12HDAC6CYP11B1CYP11B2NPC1 | |
| SCHEMBL10717559 | 0.75 | LTB4R (0.56) | LMNAAKR1B1DAO | |
| SCHEMBL6375451 | 0.75 | CYP11B1 (0.49) | MMP12LMNATSHRHDAC6CYP11B1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4571437-A | CATALYTIC HYDROGENATION REDUCTION AND REARRANGEMENT OF NITROBENZENE IN PRESENCE OF SULFUR COMPOUND | MALLINCKRODT, INC. (US) | 1986-02-18 | — | — | US | disclosed |