Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | ANPEP | P15144 | 1/20 | 0.48 |
| ▸ | ERAP2 | Q6P179 | 1/20 | 0.48 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.45 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | GSK3B | P49841 | 1/20 | 0.44 |
| ▸ | PTGES | O14684 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL27311205 | 1.00 | TSHR (0.54) | TSHRANPEPERAP2ERAP1MEN1 | |
| SCHEMBL4373315 | 1.00 | TSHR (0.54) | TSHRANPEPERAP2ERAP1MEN1 | |
| SCHEMBL3097653 | 0.86 | TSHR (0.61) | TSHRANPEPERAP2ERAP1MEN1 | |
| SCHEMBL2438048 | 0.83 | MEN1 (0.49) | TSHRANPEPERAP2ERAP1MEN1 | |
| SCHEMBL2561037 | 0.82 | TSHR (0.56) | TSHRANPEPERAP2ERAP1MEN1 | |
| SCHEMBL2603379 | 0.82 | TSHR (0.49) | TSHRMEN1KMT2AKCNH2KCNJ1 | |
| SCHEMBL10610015 | 0.81 | MAPT (0.51) | TSHRMEN1KMT2AKCNH2KCNJ1 | |
| SCHEMBL10610005 | 0.81 | MAPT (0.51) | TSHRMEN1KMT2AKCNH2KCNJ1 | |
| SCHEMBL10610012 | 0.81 | MAPT (0.51) | TSHRMEN1KMT2AKCNH2KCNJ1 | |
| SCHEMBL8092467 | 0.81 | GRM8 (0.56) | TSHRANPEPERAP2ERAP1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0271795-A2 | Octahydro-10-oxo-6H-pyridazo[1,2-a][1,2]diazepin derivatives, intermediates and process for their preparation, and medicament containing them | F. HOFFMANN-LA ROCHE AG (CH) | 1988-06-22 | — | — | EP | disclosed |