Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 4/20 | 0.51 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | USP2 | O75604 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | BLM | P54132 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | AVPR2 | P30518 | 1/20 | 0.46 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA7 | P43166 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.45 |
| ▸ | ACHE | P22303 | 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 | |
|---|---|---|---|---|
| SCHEMBL15152267 | 0.83 | SPR (0.40) | GRM5HDAC6USP2ALDH1A1TSHR | |
| SCHEMBL14841950 | 0.78 | ALDH1A1 (0.39) | HDAC6ALDH1A1AVPR2AVPR1A | |
| SCHEMBL9124207 | 0.78 | NOTUM (0.50) | HDAC6HPGDALDH1A1 | |
| SCHEMBL7129676 | 0.76 | HPGD (0.79) | HPGDUSP2ALDH1A1BLMSIGMAR1 | |
| SCHEMBL252026 | 0.76 | HPGD (0.79) | HPGDUSP2ALDH1A1BLMSIGMAR1 | |
| SCHEMBL14248809 | 0.76 | HDAC6 (0.58) | GRM5HDAC6HPGDUSP2ALDH1A1 | |
| SCHEMBL24159383 | 0.75 | KCNQ2 (0.38) | HDAC6ALDH1A1AVPR2AVPR1APOLB | |
| Hydrochloric Acid SCHEMBL1597472 | 0.74 | HPGD (0.76) | HPGDUSP2ALDH1A1BLMSIGMAR1 | |
| SCHEMBL14248999 | 0.74 | RIPK1 (0.48) | HDAC6ALDH1A1SIGMAR1 | |
| SCHEMBL15998893 | 0.74 | BLM (0.47) | HDAC6ALDH1A1BLMTSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5378846-A | Anxiolytic agents | RUSSIAN-AMERICAN INSTITUTE FOR NEW DRUG DEVELOPMENT (US) | 1995-01-03 | — | — | US | disclosed |
| WO-1994029315-A1 | 1,2,3,4-TETRAHYDROPYRROLO[1,2-a]PYRAZINES | THE RUSSIAN-AMERICAN INSTITUTE FOR NEW DRUG DEVELOPMENT (US) | 1994-12-22 | — | — | WO | disclosed |