Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | BCL2 | P10415 | 1/20 | 0.41 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.41 |
| ▸ | BCL2A1 | Q16548 | 1/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.39 |
| ▸ | MLYCD | O95822 | 1/20 | 0.39 |
| ▸ | PTGIR | P43119 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | MMP1 | P03956 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | MMP3 | P08254 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | MMP8 | P22894 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4347670 | 0.87 | NPC1 (0.43) | NPC1RAB9ABCL2BCL2L1MCL1 | |
| SCHEMBL4349769 | 0.85 | MEN1 (0.43) | NPC1RAB9ABCL2BCL2L1MCL1 | |
| SCHEMBL4342371 | 0.85 | NPC1 (0.44) | NPC1RAB9ABCL2BCL2L1MCL1 | |
| SCHEMBL4347205 | 0.81 | MEN1 (0.43) | NPC1RAB9ABCL2BCL2L1MCL1 | |
| SCHEMBL4347008 | 0.80 | NPC1 (0.40) | NPC1RAB9ABCL2BCL2L1MCL1 | |
| SCHEMBL4348879 | 0.80 | ADORA2A (0.43) | NPC1RAB9AEPHX1HDAC6MLYCD | |
| SCHEMBL4341989 | 0.79 | PKM (0.44) | NPC1RAB9AEPHX1MEN1KMT2A | |
| SCHEMBL27391631 | 0.77 | TDP1 (0.57) | NPC1RAB9ABCL2BCL2L1MCL1 | |
| SCHEMBL4348608 | 0.77 | NPC1 (0.44) | NPC1RAB9AEPHX1MEN1KMT2A | |
| SCHEMBL4341885 | 0.77 | SMN1; SMN2 (0.39) | NPC1RAB9ABCL2BCL2L1MCL1 |
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 |