Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 4/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.44 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL31575774 | 0.95 | ALDH1A1 (0.51) | GAAALDH1A1SMN1; SMN2HPGDRAB9A | |
| SCHEMBL4046626 | 0.85 | MLYCD (0.53) | GAAALDH1A1SMN1; SMN2HPGDRAB9A | |
| SCHEMBL24998749 | 0.79 | MLYCD (0.58) | GAAALDH1A1SMN1; SMN2HPGDRAB9A | |
| SCHEMBL155518 | 0.79 | MLYCD (0.58) | GAAALDH1A1SMN1; SMN2HPGDRAB9A | |
| SCHEMBL29772431 | 0.79 | MLYCD (0.58) | GAAALDH1A1SMN1; SMN2HPGDRAB9A | |
| SCHEMBL8380943 | 0.78 | GAA (0.53) | GAAALDH1A1SMN1; SMN2HPGDRAB9A | |
| Hydrochloric Acid SCHEMBL28544859 | 0.77 | MLYCD (0.56) | GAAALDH1A1SMN1; SMN2HPGDRAB9A | |
| Hydrochloric Acid SCHEMBL7849680 | 0.77 | MLYCD (0.56) | GAAALDH1A1SMN1; SMN2HPGDRAB9A | |
| SCHEMBL7522945 | 0.77 | MLYCD (0.56) | GAAALDH1A1SMN1; SMN2HPGDRAB9A | |
| SCHEMBL29171758 | 0.77 | ALDH1A1 (0.49) | GAAALDH1A1SMN1; SMN2HPGDRAB9A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2020404-A1 | Cyanomethyl substituted N-Acyl Tryptamines | Bayer Schering Pharma Aktiengesellschaft (DE) | 2009-02-04 | — | — | EP | disclosed |