Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PMM2 | O15305 | 1/20 | 0.45 |
| ▸ | MPI | P34949 | 1/20 | 0.45 |
| ▸ | PHOSPHO1 | Q8TCT1 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 3/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | PDK1 | Q15118 | 3/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 3/20 | 0.39 |
| ▸ | PDK3 | Q15120 | 3/20 | 0.39 |
| ▸ | PDK4 | Q16654 | 3/20 | 0.39 |
| ▸ | ABL1 | P00519 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL16542508 | 0.85 | ALDH1A1 (0.54) | ALDH1A1HPGDKDM4ESMN1; SMN2MEN1 | |
| SCHEMBL28804472 | 0.85 | PARP1 (0.49) | ALDH1A1HPGDMEN1KMT2AABL1 | |
| SCHEMBL9106791 | 0.85 | PMM2 (0.44) | PMM2MPIPHOSPHO1ALDH1A1HPGD | |
| SCHEMBL9106809 | 0.85 | PMM2 (0.44) | PMM2MPIPHOSPHO1ALDH1A1HPGD | |
| SCHEMBL9892977 | 0.84 | PMM2 (0.43) | PMM2MPIPHOSPHO1ALDH1A1HPGD | |
| SCHEMBL9891742 | 0.84 | PMM2 (0.43) | PMM2MPIPHOSPHO1ALDH1A1HPGD | |
| SCHEMBL16480486 | 0.82 | GAA (0.53) | PMM2MPIPHOSPHO1ALDH1A1HPGD | |
| SCHEMBL16480412 | 0.82 | MEN1 (0.57) | ALDH1A1KDM4ETSHRSMN1; SMN2MEN1 | |
| SCHEMBL16480394 | 0.76 | KMT2A (0.48) | ALDH1A1KDM4ETSHRMEN1KMT2A | |
| SCHEMBL1937222 | 0.75 | DDB1 (0.44) | ALDH1A1KDM4EMEN1KMT2AABL1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8629157-B2 | Pyrrolidine compounds which modulate the CB2 receptor | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-01-14 | — | — | US | disclosed |
| CN-102971291-A | Novel amide derivative and use thereof as medicine | MITSUBISHI TANABE PHARMA CORP | 2013-03-13 | — | — | CN | disclosed |