Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 1/20 | 0.46 |
| ▸ | TPX2 | Q9ULW0 | 1/20 | 0.46 |
| ▸ | SCN5A | Q14524 | 8/20 | 0.45 |
| ▸ | SCN9A | Q15858 | 6/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | GMNN | O75496 | 1/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.45 |
| ▸ | SCN4A | P35499 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL1242144 | 0.78 | KIF11 (0.52) | AURKATPX2SCN5ASCN9ATP53 | |
| SCHEMBL3997703 | 0.78 | AKR1C2 (0.50) | AURKATPX2SCN5ASCN2AMAPK1 | |
| SCHEMBL27960724 | 0.77 | BACE1 (0.59) | SCN5ASCN9ANPC1RAB9AGMNN | |
| SCHEMBL18654126 | 0.76 | LTA4H (0.56) | SCN5ASCN9ASCN2AALOX5APFEN1 | |
| Hydrochloric Acid SCHEMBL29386875 | 0.76 | KIF11 (0.50) | AURKATPX2SCN5ASCN9ANPC1 | |
| SCHEMBL24024734 | 0.76 | MEN1 (0.54) | AURKATPX2SCN5AGAASCN2A | |
| SCHEMBL28563593 | 0.75 | HDAC3 (0.49) | SCN5ASCN9ANPC1RAB9AGMNN | |
| SCHEMBL30386990 | 0.75 | HDAC3 (0.49) | SCN5ASCN9ANPC1RAB9AGMNN | |
| SCHEMBL7708814 | 0.75 | DYRK1A (0.65) | NPC1RAB9ATP53NFKB1SMN1; SMN2 | |
| SCHEMBL7703168 | 0.75 | KIF11 (0.59) | KIF11 |
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-6355653-B1 | DRUG AND CARRIER FOR ANTIALLERGENS, BRAIN DISORDERS AND NEUROTRANSMITTERS | HOFFMANN-LA ROCHE INC. | 2002-03-12 | — | — | US | disclosed |