Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 12/20 | 0.42 |
| ▸ | RAB9A | P51151 | 11/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL4341989 | 0.86 | PKM (0.44) | PKMNPC1RAB9ASMN1; SMN2POLB | |
| SCHEMBL4350022 | 0.84 | PKM (0.44) | PKMS1PR1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL27761079 | 0.84 | PKM (0.60) | PKMS1PR1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL4347670 | 0.81 | NPC1 (0.43) | NPC1RAB9AKMT2AEPHX1MEN1 | |
| SCHEMBL4343483 | 0.75 | ESR1 (0.39) | KDM4EALDH1A1LMNAHSD17B10 | |
| SCHEMBL4348627 | 0.74 | PKM (0.43) | PKMS1PR1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL4350103 | 0.74 | PKM (0.43) | PKMNPC1RAB9ASMN1; SMN2KMT2A | |
| SCHEMBL4354007 | 0.74 | NPC1 (0.46) | PKMNPC1RAB9ASMN1; SMN2KMT2A | |
| SCHEMBL4347655 | 0.74 | MEN1 (0.47) | NPC1RAB9ASMN1; SMN2POLBKMT2A | |
| SCHEMBL27761119 | 0.74 | LMNA (0.43) | PKMNPC1RAB9ASMN1; SMN2KMT2A |
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 |