Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 5/20 | 0.58 |
| ▸ | CA1 | P00915 | 4/20 | 0.58 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.58 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 4/20 | 0.46 |
| ▸ | RAB9A | P51151 | 4/20 | 0.46 |
| ▸ | PLAAT3 | P53816 | 3/20 | 0.43 |
| ▸ | PLAAT5 | Q96KN8 | 3/20 | 0.43 |
| ▸ | PLAAT2 | Q9NWW9 | 3/20 | 0.43 |
| ▸ | PLAAT4 | Q9UL19 | 3/20 | 0.43 |
| ▸ | MMP1 | P03956 | 1/20 | 0.43 |
| ▸ | ARG1 | P05089 | 1/20 | 0.43 |
| ▸ | MMP2 | P08253 | 1/20 | 0.43 |
| ▸ | MMP9 | P14780 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4346980 | 0.87 | CA2 (0.48) | CA2CA1HSD17B2TRPV1NPC1 | |
| SCHEMBL4341744 | 0.85 | TRPV1 (0.46) | CA2CA1HSD17B2TRPV1NPC1 | |
| SCHEMBL4347093 | 0.81 | RAB9A (0.47) | CA2CA1TRPV1NPC1RAB9A | |
| SCHEMBL4345395 | 0.80 | CA1 (0.49) | CA2CA1HSD17B2TRPV1NPC1 | |
| SCHEMBL4346130 | 0.79 | CA1 (0.51) | CA2CA1TRPV1MAPTMEN1 | |
| SCHEMBL4350109 | 0.78 | CA1 (0.41) | CA2CA1HSD17B2NPC1RAB9A | |
| SCHEMBL4349030 | 0.78 | RAB9A (0.49) | CA2CA1TRPV1NPC1RAB9A | |
| SCHEMBL4343611 | 0.78 | MAPT (0.49) | CA2CA1HSD17B2NPC1RAB9A | |
| SCHEMBL4350012 | 0.77 | HDAC2 (0.47) | CA2CA1TRPV1NPC1RAB9A | |
| SCHEMBL4351442 | 0.77 | CA1 (0.45) | CA2CA1HSD17B2NPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| EP-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | claimed |
| EP-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | disclosed |