Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | RORC | P51449 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | KCNMA1 | Q12791 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.40 |
| ▸ | MYC | P01106 | 1/20 | 0.40 |
| ▸ | MAX | P61244 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.37 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.37 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.37 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4350940 | 0.83 | KMT2A (0.44) | ALDH1A1RAB9AKMT2AMEN1NPC1 | |
| SCHEMBL4353239 | 0.82 | KMT2A (0.43) | ALDH1A1RORCRAB9AKMT2AMEN1 | |
| SCHEMBL4353654 | 0.80 | MAPT (0.49) | ALDH1A1RAB9AKMT2AMEN1NPC1 | |
| SCHEMBL4345489 | 0.80 | CA12 (0.47) | ALDH1A1KCNMA1KMT2AMEN1THRB | |
| SCHEMBL4349655 | 0.77 | ALDH1A1 (0.43) | ALDH1A1RAB9AKMT2AMEN1NPC1 | |
| SCHEMBL4341578 | 0.75 | POLB (0.43) | ALDH1A1KCNMA1KMT2AMEN1SMN1; SMN2 | |
| SCHEMBL4347508 | 0.75 | GRIK1 (0.44) | ALDH1A1RORCRAB9AKMT2AMEN1 | |
| SCHEMBL4349028 | 0.75 | SMN1; SMN2 (0.50) | ALDH1A1RAB9AKMT2AMEN1NPC1 | |
| SCHEMBL4357616 | 0.74 | ALDH1A1 (0.63) | ALDH1A1RORCKMT2AMEN1MYC | |
| SCHEMBL4347023 | 0.74 | KMT2A (0.53) | ALDH1A1RAB9AKMT2AMEN1NPC1 |
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 |