Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | TSPO | P30536 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL95841 | 0.81 | ALDH1A1 (0.39) | OPRM1OPRL1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL3120587 | 0.79 | GAA (0.41) | OPRM1OPRL1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL16294301 | 0.73 | RAB9A (0.36) | MEN1KMT2A | |
| SCHEMBL2536208 | 0.73 | ALDH1A1 (0.43) | MEN1KMT2ASMN1; SMN2TSPOALDH1A1 | |
| SCHEMBL7849505 | 0.73 | HTR2C (0.40) | OPRM1MEN1KMT2ASMN1; SMN2TSPO | |
| SCHEMBL1416233 | 0.72 | ALOX5 (0.34) | KMT2ASMN1; SMN2TDP1ALDH1A1MAPT | |
| SCHEMBL7849862 | 0.71 | OPRM1 (0.36) | OPRM1OPRL1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL127066 | 0.71 | — | — | |
| SCHEMBL7827161 | 0.70 | NPSR1 (0.44) | OPRM1OPRL1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL482524 | 0.69 | KMT2A (0.45) | MEN1KMT2ASMN1; SMN2ALDH1A1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1255403-C | Beta-carboline derivatives useful as inhibitors of phosphodiesterase | ORTHO MCNEIL PHARM INC (US) | 2006-05-10 | — | — | CN | claimed |
| CN-1446217-A | Beta-carboline derivatives as phosphodiesterase inhibitors | ORTHO MCNEIL PHARM INC (US) | 2003-10-01 | — | — | CN | claimed |
| CN-1255403-C | Beta-carboline derivatives useful as inhibitors of phosphodiesterase | ORTHO MCNEIL PHARM INC (US) | 2006-05-10 | — | — | CN | disclosed |
| CN-1446217-A | Beta-carboline derivatives as phosphodiesterase inhibitors | ORTHO MCNEIL PHARM INC (US) | 2003-10-01 | — | — | CN | disclosed |
| EP-1289985-A2 | BETA-CARBOLINE DERIVATIVES USEFUL AS INHIBITORS OF PHOSPHODIESTERASE | Ortho-McNeil Pharmaceutical, Inc. (US) | 2003-03-12 | — | — | EP | disclosed |
| WO-2001087038-A2 | β-CARBOLINE DERIVATIVES USEFUL AS INHIBITORS OF PHOSPHODIESTERASE | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2001-11-22 | — | — | WO | disclosed |