Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.58 |
| ▸ | LMNA | P02545 | 3/20 | 0.58 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 4/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.46 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.46 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | XBP1 | P17861 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| Aniline SCHEMBL28203025 | 0.79 | ALDH1A1 (0.61) | ALDH1A1LMNACA1CA2HPGD | |
| SCHEMBL25344771 | 0.78 | ALDH1A1 (0.53) | ALDH1A1LMNACA1CA2HPGD | |
| SCHEMBL23244062 | 0.78 | ALDH1A1 (0.53) | ALDH1A1LMNACA1CA2HPGD | |
| SCHEMBL23244061 | 0.78 | ALDH1A1 (0.53) | ALDH1A1LMNACA1CA2HPGD | |
| SCHEMBL27729618 | 0.77 | ALDH1A1 (0.62) | ALDH1A1LMNACA1CA2HPGD | |
| SCHEMBL8984221 | 0.77 | ALDH1A1 (0.58) | ALDH1A1LMNACA1CA2HPGD | |
| SCHEMBL28381197 | 0.77 | ALDH1A1 (0.58) | ALDH1A1LMNACA1CA2HPGD | |
| SCHEMBL12663628 | 0.76 | ALDH1A1 (0.57) | ALDH1A1LMNACA1CA2HPGD | |
| Phosphine SCHEMBL27943782 | 0.76 | ALDH1A1 (0.57) | ALDH1A1LMNACA1CA2HPGD | |
| SCHEMBL16616743 | 0.75 | ALDH1A1 (0.56) | ALDH1A1LMNACA1CA2HPGD |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5292913-A | Labeling with deuterium or tritium | MITSUI TOATSU CHEMICALS, INCORPORATED (JP) | 1994-03-08 | — | — | US | disclosed |
| EP-0262227-B1 | PROCESS FOR THE PREPARATION OF MYOINOSITOL DERIVATIVES | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1993-01-20 | — | — | EP | disclosed |
| US-4952717-A | Myoinositol derivatives and preparation process thereof | MITSUI TOATSU CHEMICALS, INCORPORATED (JP) | 1990-08-28 | — | — | US | disclosed |
| EP-0262227-A1 | Process for the preparation of myoinositol derivatives | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1988-04-06 | — | — | EP | disclosed |