Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | ALB | P02768 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | G6PD | P11413 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | GFER | P55789 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 3/20 | 0.40 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29134162 | 0.98 | ALDH1A1 (0.49) | ALDH1A1CYP2C9LMNAALBTSHR | |
| SCHEMBL19776259 | 0.95 | ALDH1A1 (0.50) | ALDH1A1CYP2C9LMNAALBTSHR | |
| SCHEMBL27984396 | 0.85 | ALDH1A1 (0.48) | ALDH1A1LMNATSHRTDP1SMN1; SMN2 | |
| SCHEMBL28822423 | 0.83 | ALDH1A1 (0.46) | ALDH1A1LMNATSHRTDP1L3MBTL1 | |
| SCHEMBL14018774 | 0.81 | ALDH1A1 (0.45) | ALDH1A1CYP2C9LMNASMN1; SMN2CYP3A4 | |
| SCHEMBL11545447 | 0.81 | ALDH1A1 (0.53) | ALDH1A1CYP2C9LMNASMN1; SMN2CYP3A4 | |
| SCHEMBL28375589 | 0.81 | TDP1 (0.42) | ALDH1A1LMNATDP1SMN1; SMN2MAPK1 | |
| SCHEMBL13916295 | 0.80 | CA2 (0.47) | ALDH1A1CYP2C9LMNAALBTSHR | |
| SCHEMBL15607755 | 0.80 | NPSR1 (0.40) | ALDH1A1CYP2C9LMNAG6PDSMN1; SMN2 | |
| SCHEMBL769089 | 0.80 | ALDH1A1 (0.44) | ALDH1A1CYP2C9LMNASMN1; SMN2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-4144333-A | Monocyclic beta-lactams with antibacterial activity | SMITHKLINE CORPORATION (US) | 1979-03-13 | — | — | US | disclosed |