Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.47 |
| ▸ | BIRC2 | Q13490 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.43 |
| ▸ | CNR2 | P34972 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | DHFR | P00374 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
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 SCHEMBL7423358 | 0.77 | SLC6A3 (0.46) | NOTUMSLC6A3SLC6A2SLC6A4ALDH1A1 | |
| SCHEMBL7413296 | 0.76 | BIRC2 (0.48) | NOTUMBIRC2SLC6A3SLC6A2CNR2 | |
| Hydrochloric Acid SCHEMBL9372774 | 0.75 | BIRC2 (0.48) | NOTUMBIRC2SLC6A3SLC6A2CNR2 | |
| SCHEMBL7415222 | 0.70 | SLC6A3 (0.45) | SLC6A3SLC6A2SLC6A4DHFRALDH1A1 | |
| Hydrochloric Acid SCHEMBL7419964 | 0.68 | SLC6A2 (0.43) | SLC6A3SLC6A2SLC6A4ALDH1A1LMNA | |
| SCHEMBL28008763 | 0.68 | NOTUM (0.63) | NOTUMBIRC2CNR2 | |
| SCHEMBL7984446 | 0.67 | NOTUM (0.77) | NOTUMBIRC2SLC6A2CNR2SLC6A4 | |
| SCHEMBL10512041 | 0.67 | SLC6A3 (0.46) | SLC6A3SLC6A2SLC6A4DHFRALDH1A1 | |
| Hydrochloric Acid SCHEMBL7478017 | 0.67 | SLC6A2 (0.44) | SLC6A3SLC6A2SLC6A4ALDH1A1LMNA | |
| SCHEMBL27488208 | 0.66 | SLC6A3 (0.45) | SLC6A3SLC6A2SLC6A4DHFRALDH1A1 |
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-1993018027-A1 | NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICALS | SMITHKLINE BEECHAM PLC (GB) | 1993-09-16 | — | — | WO | disclosed |