Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.53 |
| ▸ | MEN1 | O00255 | 3/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 5/20 | 0.50 |
| ▸ | RAB9A | P51151 | 4/20 | 0.50 |
| ▸ | TP53 | P04637 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.50 |
| ▸ | RELA | Q04206 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | LDLR | P01130 | 2/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL18862176 | 0.90 | ALDH1A1 (0.56) | ALDH1A1SMN1; SMN2MEN1KMT2ACYP1A2 | |
| SCHEMBL4945184 | 0.90 | ALDH1A1 (0.59) | ALDH1A1SMN1; SMN2MEN1KMT2ACYP1A2 | |
| SCHEMBL12218006 | 0.84 | POLB (0.54) | ALDH1A1SMN1; SMN2MEN1KMT2ACYP1A2 | |
| SCHEMBL4945479 | 0.78 | ALDH1A1 (0.58) | ALDH1A1SMN1; SMN2MEN1KMT2ACYP1A2 | |
| SCHEMBL4946066 | 0.76 | LDLR (0.51) | ALDH1A1SMN1; SMN2MEN1KMT2ACYP1A2 | |
| SCHEMBL18296970 | 0.74 | SMN1; SMN2 (0.53) | ALDH1A1SMN1; SMN2MEN1KMT2ACYP1A2 | |
| SCHEMBL22407655 | 0.74 | MAPT (0.51) | ALDH1A1MEN1KMT2ACYP1A2CYP3A4 | |
| SCHEMBL28697207 | 0.74 | LMNA (0.51) | ALDH1A1MEN1KMT2ACYP1A2CYP3A4 | |
| SCHEMBL4945389 | 0.73 | LDLR (0.54) | ALDH1A1SMN1; SMN2MEN1KMT2ACYP1A2 | |
| SCHEMBL4941160 | 0.73 | SMN1; SMN2 (0.51) | ALDH1A1SMN1; SMN2MEN1KMT2ACYP1A2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017083242-A1 | INHIBITORS OF SUPPRESSION OF TUMORIGENCITY 2 (ST2) AND METHODS USING THE SAME | THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) | 2017-05-18 | — | — | WO | disclosed |