Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | HTR7 | P34969 | 10/20 | 0.48 |
| ▸ | MTNR1A | P48039 | 5/20 | 0.47 |
| ▸ | MTNR1B | P49286 | 5/20 | 0.47 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.46 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.46 |
| ▸ | RET | P07949 | 1/20 | 0.41 |
| ▸ | KIF5B | P33176 | 1/20 | 0.41 |
| ▸ | KDR | P35968 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9541954 | 0.83 | ALDH1A1 (0.50) | ALDH1A1TSHRCYP3A4HTR7MTNR1A | |
| SCHEMBL13164572 | 0.81 | HTR7 (0.45) | HTR7MTNR1AMTNR1B | |
| SCHEMBL5145010 | 0.80 | ALDH1A1 (0.59) | ALDH1A1TSHRCYP3A4HTR7MTNR1A | |
| SCHEMBL2388543 | 0.80 | ALDH1A1 (0.59) | ALDH1A1TSHRCYP3A4HTR7MTNR1A | |
| SCHEMBL8403505 | 0.80 | ALDH1A1 (0.59) | ALDH1A1TSHRCYP3A4HTR7MTNR1A | |
| SCHEMBL29591101 | 0.80 | ALDH1A1 (0.59) | ALDH1A1TSHRCYP3A4HTR7MTNR1A | |
| SCHEMBL16617951 | 0.79 | CYP3A4 (0.40) | ALDH1A1TSHRCYP3A4MTNR1AMTNR1B | |
| SCHEMBL29235215 | 0.79 | ALDH1A1 (0.57) | ALDH1A1TSHRCYP3A4HTR7MTNR1A | |
| SCHEMBL4500081 | 0.79 | ALDH1A1 (0.57) | ALDH1A1TSHRCYP3A4HTR7MTNR1A | |
| SCHEMBL14368015 | 0.78 | SIGMAR1 (0.42) | ALDH1A1MTNR1AMTNR1B |
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 |
|---|---|---|---|---|---|---|---|
| JP-5043526-A | — | — | None | — | — | JP | disclosed |
| JP-H0543526-A | BENZOIC ACID DERIVATIVE | MITSUI TOATSU CHEM INC | 1993-02-23 | — | — | JP | disclosed |