Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.42 |
| ▸ | TOP2A | P11388 | 3/20 | 0.42 |
| ▸ | TOP2B | Q02880 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 3/20 | 0.34 |
| ▸ | DRD3 | P35462 | 3/20 | 0.34 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.34 |
| ▸ | HTR6 | P50406 | 5/20 | 0.34 |
| ▸ | DRD4 | P21917 | 2/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3726196 | 0.81 | ALDH1A1 (0.40) | ALDH1A1TOP2ATOP1POLBCHRM2 | |
| SCHEMBL30504558 | 0.77 | ALDH1A1 (0.44) | ALDH1A1KDM4ELMNAHPGDHSD17B10 | |
| SCHEMBL3475236 | 0.77 | ALDH1A1 (0.44) | ALDH1A1KDM4ELMNAHPGDHSD17B10 | |
| SCHEMBL5320087 | 0.74 | KCNH2 (0.50) | ALDH1A1KDM4EHPGDHSD17B10BRD4 | |
| SCHEMBL6708680 | 0.73 | ALDH1A1 (0.36) | ALDH1A1KDM4ELMNAHPGDHSD17B10 | |
| SCHEMBL6703755 | 0.73 | KDM4E (0.62) | ALDH1A1KDM4ELMNAHPGDHSD17B10 | |
| SCHEMBL4370115 | 0.72 | KCNH2 (0.41) | ALDH1A1KDM4ELMNAHPGDHSD17B10 | |
| SCHEMBL6443048 | 0.70 | MAPK8 (0.40) | ALDH1A1KDM4ELMNAHPGDHSD17B10 | |
| SCHEMBL30866391 | 0.69 | KDM4E (0.63) | ALDH1A1KDM4ELMNAHPGDHSD17B10 | |
| SCHEMBL9867308 | 0.69 | PIM1 (0.45) | ALDH1A1TOP2ATOP2BTOP1POLB |
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-5571812-A | TREATMENT OF INFECTIONS OF GRAMNEGATIVE AND GRAMPOSITIVE BACTERIA | BAYER AKTIENGESELLSCHAFT (DE) | 1996-11-05 | — | — | US | claimed |