Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | L1CAM | P32004 | 1/20 | 0.32 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| Aspirin SCHEMBL5467455 | 0.72 | KDM4E (0.49) | TSHRRXFP1ALDH1A1ADORA2BLMNA | |
| SCHEMBL5469110 | 0.61 | NPC1 (0.47) | ALDH1A1LMNAKDM4EPOLBNPC1 | |
| SCHEMBL684044 | 0.60 | ADORA2B (0.49) | TSHRRXFP1ALDH1A1ADORA2BLMNA | |
| SCHEMBL4453355 | 0.60 | ADORA2B (0.49) | TSHRRXFP1ADORA2BLMNAPOLB | |
| Caffeine SCHEMBL2468803 | 0.60 | ADORA2B (0.59) | TSHRRXFP1ALDH1A1ADORA2BLMNA | |
| Caffeine SCHEMBL667174 | 0.60 | ADORA2B (0.62) | CA1CA9TSHRRXFP1ALDH1A1 | |
| SCHEMBL5430755 | 0.60 | ADORA2B (0.48) | TSHRRXFP1ADORA2BLMNAPOLB | |
| SCHEMBL122391 | 0.60 | ADORA2B (0.48) | TSHRRXFP1ADORA2BLMNAPOLB | |
| SCHEMBL122001 | 0.60 | ADORA2B (0.48) | TSHRRXFP1ADORA2BLMNAPOLB | |
| SCHEMBL6636585 | 0.58 | CA1 (0.79) | CA1CA9TSHRL1CAMALDH1A1 |
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-6413962-B1 | ANESTHESIA AND TEMPERATURES REDUCTION; ALPHA-ADRENOCEPTOR AGONIST; RESTORATIVE TO CENTRAL NERVOUS SYSTEM, ESPECIALLY MOTOR AND SENSORY FUNCTIONAL LOSSES FROM TRAMATIC SPINAL CORD INJURIES; ANTISPASTICS; NONSEDATIVE; SIDE EFFECT REDUCTION | NAFTCHI N ERIC (US) | 2002-07-02 | — | — | US | disclosed |