Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | MAOB | P27338 | 11/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.50 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.50 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.48 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.46 |
| ▸ | KDM1A | O60341 | 1/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.43 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 4/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8208997 | 0.90 | MAOB (0.42) | S1PR5NPC1POLBRAB9AMAOB | |
| SCHEMBL8209192 | 0.90 | MMP13 (0.49) | S1PR5NPC1RAB9AMAOBKCNH2 | |
| SCHEMBL8213085 | 0.87 | MMP13 (0.46) | NPC1POLBRAB9AKCNH2PARP10 | |
| SCHEMBL8212956 | 0.83 | MMP13 (0.42) | POLBMAOBKDM1A | |
| SCHEMBL8209442 | 0.77 | KDM1A (0.43) | NPC1RAB9AKCNH2PARP10KDM1A | |
| SCHEMBL8210831 | 0.74 | BTK (0.35) | MAOBKCNH2KDM1AMAOA | |
| SCHEMBL19609293 | 0.73 | CYP4F2 (0.57) | S1PR5MAOBKCNH2PARP10NR4A2 | |
| SCHEMBL8208991 | 0.73 | NPC1 (0.41) | NPC1RAB9AMAOBKDM1AMAOA | |
| SCHEMBL8211740 | 0.72 | ROCK2 (0.38) | — | |
| SCHEMBL28648433 | 0.71 | MAOB (0.56) | S1PR5NPC1POLBRAB9AMAOB |
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-6114361-A | INHIBITORS OF MATRIX METALLOPROTEINASES AND REPROLYSIN; ADMINISTERING TO TREAT CONDITIONS WHICH CAN BE TREATED BY THE INHIBITION OF THESE ENZYMES | PFIZER INC. (US) | 2000-09-05 | — | — | US | claimed |