Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | AGXT | P21549 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CETP | P11597 | 3/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1068376 | 0.89 | IDO1 (0.41) | IDO1AGXTTSHRALDH1A1L3MBTL1 | |
| SCHEMBL1068374 | 0.89 | IDO1 (0.41) | IDO1AGXTTSHRALDH1A1L3MBTL1 | |
| SCHEMBL8650650 | 0.86 | EPHX2 (0.47) | CETP | |
| SCHEMBL8650647 | 0.86 | EPHX2 (0.47) | CETP | |
| SCHEMBL22207390 | 0.86 | EPHX2 (0.47) | CETP | |
| SCHEMBL7717208 | 0.84 | IDO1 (0.46) | IDO1AGXTTSHRTP53ALDH1A1 | |
| SCHEMBL7717207 | 0.84 | IDO1 (0.46) | IDO1AGXTTSHRTP53ALDH1A1 | |
| SCHEMBL30712620 | 0.81 | HCAR2 (0.40) | IDO1TP53HCAR2 | |
| SCHEMBL2878220 | 0.81 | IDO1 (0.35) | IDO1AGXTCYP3A4 | |
| SCHEMBL29447243 | 0.81 | IDO1 (0.43) | IDO1AGXTTSHRALDH1A1HCAR2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005103015-A1 | TRIAZINE COMPOUNDS AND THEIR ANALOGS, COMPOSITIONS, AND METHODS | REDDY US THERAPEUTICS, INC. (US) | 2005-11-03 | — | — | WO | disclosed |
| WO-2005062811-A2 | CATALYTIC SULFOXIDE-PROMOTED C-H OXIDATION, AND REGIOSELECTIVE PREPARATION OF ALLYLIC CARBOXYLATES | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2005-07-14 | — | — | WO | disclosed |