Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.66 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.66 |
| ▸ | RAB9A | P51151 | 4/20 | 0.59 |
| ▸ | NPC1 | O15118 | 3/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | MARK4 | Q96L34 | 2/20 | 0.55 |
| ▸ | TP53 | P04637 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL16797994 | 0.88 | CYP1A2 (0.63) | ALDH1A1MAPK1RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL30668685 | 0.84 | ALDH1A1 (0.52) | ALDH1A1MAPK1RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL4259535 | 0.83 | RAB9A (0.57) | ALDH1A1MAPK1RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL9500170 | 0.82 | CYP1A2 (0.86) | ALDH1A1MAPK1RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL954303 | 0.79 | KMT2A (0.73) | ALDH1A1MAPK1RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL14743977 | 0.79 | CYP1A2 (0.47) | ALDH1A1MAPK1SMN1; SMN2CYP1A2CYP2C9 | |
| SCHEMBL14646318 | 0.77 | NPC1 (0.77) | ALDH1A1MAPK1RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL20579832 | 0.77 | CYP1A2 (0.66) | ALDH1A1MAPK1RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL13312213 | 0.77 | CYP1A2 (0.67) | ALDH1A1MAPK1RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL6409798 | 0.76 | CYP1A2 (0.66) | ALDH1A1MAPK1RAB9ANPC1SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017097671-A1 | SUBSTITUTED PERHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AND THE USE OF SAME | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2017-06-15 | — | — | WO | disclosed |