Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 2/20 | 0.53 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | XDH | P47989 | 1/20 | 0.51 |
| ▸ | IKBKB | O14920 | 1/20 | 0.49 |
| ▸ | PGR | P06401 | 1/20 | 0.49 |
| ▸ | BRD4 | O60885 | 1/20 | 0.49 |
| ▸ | MAOB | P27338 | 1/20 | 0.49 |
| ▸ | KDM1A | O60341 | 2/20 | 0.47 |
| ▸ | CTSS | P25774 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.46 |
| ▸ | KIF11 | P52732 | 1/20 | 0.46 |
| ▸ | IDO1 | P14902 | 1/20 | 0.46 |
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28946840 | 0.84 | ADORA2A (0.51) | ADORA2AADORA1TSHRMAPK1XDH | |
| SCHEMBL29678302 | 0.82 | TSHR (0.58) | TSHRMAPK1PGRMAOBKDM1A | |
| SCHEMBL1263144 | 0.82 | TSHR (0.58) | TSHRMAPK1PGRMAOBKDM1A | |
| SCHEMBL1358158 | 0.80 | XDH (0.57) | ADORA2AADORA1TSHRMAPK1XDH | |
| Ammonia Solution, Strong SCHEMBL20472961 | 0.80 | MAOB (0.56) | TSHRMAPK1PGRMAOBKDM1A | |
| SCHEMBL27978518 | 0.79 | TSHR (0.70) | ADORA2AADORA1TSHRMAPK1XDH | |
| SCHEMBL6256565 | 0.79 | CTSS (0.60) | ADORA2AADORA1TSHRMAPK1XDH | |
| SCHEMBL7703168 | 0.79 | KIF11 (0.59) | IKBKBMAOBKIF11 | |
| SCHEMBL3789224 | 0.79 | TSHR (0.76) | ADORA2AADORA1TSHRMAPK1XDH | |
| SCHEMBL30704262 | 0.77 | MAP4K4 (0.62) | ADORA2AADORA1TSHRMAPK1IKBKB |
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 |