Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | NCEH1 | Q6PIU2 | 8/20 | 0.34 |
| ▸ | ACHE | P22303 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8829228 | 0.85 | NCEH1 (0.36) | NPC1RAB9AALDH1A1SMN1; SMN2NCEH1 | |
| SCHEMBL7548193 | 0.73 | NCEH1 (0.37) | NPC1RAB9AALDH1A1SMN1; SMN2NCEH1 | |
| SCHEMBL7551271 | 0.72 | DRD2 (0.33) | RAB9AALDH1A1SMN1; SMN2TSHRPKM | |
| SCHEMBL7442264 | 0.72 | KDM4E (0.36) | KDM4E | |
| Hydrochloric Acid SCHEMBL7317155 | 0.70 | PTPN1 (0.36) | ALDH1A1SMN1; SMN2TSHRPOLBLMNA | |
| SCHEMBL7442692 | 0.69 | KMT2A (0.32) | ALDH1A1 | |
| SCHEMBL7439893 | 0.68 | — | — | |
| SCHEMBL7442764 | 0.68 | GAA (0.39) | NPC1RAB9AALDH1A1KDM4EGAA | |
| SCHEMBL7443351 | 0.67 | ADORA3 (0.36) | ALDH1A1TSHRPOLBLMNAKDM4E | |
| SCHEMBL8829352 | 0.67 | NCEH1 (0.40) | ALDH1A1NCEH1ACHETSHRCYP2C19 |
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-1996038435-A1 | DOPAMINE AGONISTS | ABBOTT LABORATORIES (US) | 1996-12-05 | — | — | WO | disclosed |