Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNJ1 | P48048 | 1/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.54 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.53 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.49 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.48 |
| ▸ | IGF1R | P08069 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.47 |
| ▸ | F2RL1 | P55085 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL490893 | 0.89 | KCNJ1 (0.56) | KCNJ1KCNH2CALM1TAAR1SIGMAR1 | |
| SCHEMBL1687902 | 0.79 | ALDH1A1 (0.46) | KCNJ1KCNH2TAAR1SIGMAR1MAPT | |
| SCHEMBL904232 | 0.79 | ALDH1A1 (0.43) | KCNJ1TAAR1IGF1RALOX15NPC1 | |
| Nitric Acid SCHEMBL9874342 | 0.79 | CALM1 (0.54) | KCNJ1KCNH2CALM1ALOX5TAAR1 | |
| SCHEMBL8957360 | 0.79 | CALM1 (0.50) | KCNJ1KCNH2CALM1ALOX5TAAR1 | |
| SCHEMBL15190610 | 0.78 | ATM (0.53) | SIGMAR1MAPTSMN1; SMN2 | |
| SCHEMBL29626851 | 0.78 | ATM (0.53) | SIGMAR1MAPTSMN1; SMN2 | |
| SCHEMBL244070 | 0.78 | CALM1 (0.79) | CALM1ALOX5TAAR1IGF1RALOX15 | |
| SCHEMBL4254058 | 0.78 | CALM1 (0.72) | CALM1ALOX5TAAR1IGF1RALOX15 | |
| SCHEMBL9323722 | 0.77 | IDO1 (0.48) | KCNJ1KCNH2TAAR1ALOX15RAB9A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2003014115-A1 | 3-SUBSTITUTED PYRROLO (2.1-A) ISOQUINOLINE DERIVATIVES | BAYER AKTIENGESELLSCHAFT (DE) | 2003-02-20 | — | — | WO | disclosed |
| WO-2003014117-A1 | 3-SUBSTITUTED PYRROLO[2.1-A]ISOQUINOLINE DERIVATIVES | BAYER CORPORATION (US) | 2003-02-20 | — | — | WO | disclosed |
| US-4163057-A | Isoxazole-4-carboxamides as tranquilizers, sleep-inducers and muscle relaxants | SANDOZ, INC. (US) | 1979-07-31 | — | — | US | disclosed |