Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 5/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | KAT2B | Q92831 | 2/20 | 0.41 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | MITF | O75030 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11264895 | 1.00 | TSHR (0.53) | TSHRCYP3A4PTGS2MAPTALDH1A1 | |
| SCHEMBL12367389 | 0.87 | TSHR (0.53) | TSHRCYP3A4PTGS2MAPTALDH1A1 | |
| SCHEMBL8957884 | 0.84 | ALDH1A1 (0.61) | TSHRPTGS2MAPTALDH1A1KMT2A | |
| SCHEMBL9848580 | 0.84 | ALDH1A1 (0.61) | TSHRPTGS2MAPTALDH1A1KMT2A | |
| SCHEMBL405375 | 0.83 | ALDH1A1 (0.49) | TSHRPTGS2MAPTALDH1A1KMT2A | |
| SCHEMBL1096483 | 0.83 | PTGS2 (0.47) | PTGS2MAPTALDH1A1KMT2AMAPK1 | |
| SCHEMBL29996459 | 0.83 | PTGS2 (0.47) | PTGS2MAPTALDH1A1KMT2AMAPK1 | |
| SCHEMBL6497972 | 0.83 | PTGS2 (0.47) | PTGS2MAPTALDH1A1KMT2AMAPK1 | |
| SCHEMBL7407755 | 0.83 | PTGS2 (0.47) | PTGS2MAPTALDH1A1KMT2AMAPK1 | |
| SCHEMBL440162 | 0.83 | ALDH1A1 (0.49) | TSHRPTGS2MAPTALDH1A1KMT2A |
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-4316847-A | ARTIFICIAL SWEETENING | HOFFMANN-LA ROCHE INC. (US) | 1982-02-23 | — | — | US | disclosed |
| US-4256641-A | ALKYL ALPHA-CARBOXAMIDOINDOLE-3-ACRYLATES MADE FROM 3-INDOLECARBOXALDEHYDES AND MONOALKYL CARBOXAMIDOMALONATES | HOFFMANN-LA ROCHE INC. (US) | 1981-03-17 | — | — | US | disclosed |
| US-4140697-A | ARTIFICIAL SWEETENER | HOFFMANN-LA ROCHE INC. (US) | 1979-02-20 | — | — | US | disclosed |
| US-4073795-A | Synthesis of tryptophans | HOFFMANN-LA ROCHE INC. (US) | 1978-02-14 | — | — | US | disclosed |