Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.56 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.42 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.42 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.42 |
| ▸ | DRD1 | P21728 | 1/20 | 0.41 |
| ▸ | ERN1 | O75460 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | PTGER4 | P35408 | 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 | |
|---|---|---|---|---|
| SCHEMBL13244689 | 0.89 | CYP2A6 (0.40) | ALDH1A1CYP2A6DRD1BRD4 | |
| SCHEMBL6351 | 0.80 | ALDH1A1 (0.86) | ALDH1A1CYP2A6HDAC8HDAC6HDAC3 | |
| SCHEMBL19214399 | 0.80 | ALDH1A1 (0.86) | ALDH1A1CYP2A6HDAC8HDAC6HDAC3 | |
| SCHEMBL14667871 | 0.79 | ALDH1A1 (0.76) | ALDH1A1CYP2A6HDAC8HDAC6HDAC3 | |
| Anisaldehyde SCHEMBL1100 | 0.75 | ALDH1A1 (1.00) | ALDH1A1CYP2A6LMNAALDH1A3TSHR | |
| Anisaldehyde SCHEMBL717471 | 0.75 | ALDH1A1 (1.00) | ALDH1A1CYP2A6LMNAALDH1A3TSHR | |
| Anisaldehyde SCHEMBL1477047 | 0.73 | ALDH1A1 (0.95) | ALDH1A1CYP2A6LMNAALDH1A3TSHR | |
| Anisaldehyde SCHEMBL31123393 | 0.73 | ALDH1A1 (0.95) | ALDH1A1CYP2A6LMNAALDH1A3TSHR | |
| Anisaldehyde SCHEMBL11255570 | 0.73 | ALDH1A1 (0.95) | ALDH1A1CYP2A6LMNAALDH1A3TSHR | |
| Anisaldehyde SCHEMBL28556480 | 0.73 | ALDH1A1 (0.95) | ALDH1A1CYP2A6LMNAALDH1A3TSHR |
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-9617256-B2 | Antibacterial agents | ACHAOGEN, INC. (US) | 2017-04-11 | — | — | US | disclosed |