Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.41 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | DGKA | P23743 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 2/20 | 0.39 |
| ▸ | PRKCA | P17252 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | RARB | P10826 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL12848268 | 1.00 | TSHR (0.45) | TSHRCYP3A4ALDH1A1CYP4F2CYP4A11 | |
| SCHEMBL24119215 | 0.92 | MEN1 (0.52) | TSHRCYP4F2CYP4A11MEN1THRB | |
| SCHEMBL408378 | 0.88 | ALDH1A1 (0.40) | TSHRALDH1A1CYP4F2CYP4A11THRB | |
| SCHEMBL13686744 | 0.88 | ALDH1A1 (0.40) | TSHRALDH1A1CYP4F2CYP4A11THRB | |
| SCHEMBL126843 | 0.87 | ALDH1A1 (0.56) | TSHRALDH1A1ATMHPGDACHE | |
| SCHEMBL1640972 | 0.87 | POLB (0.44) | TSHRCYP3A4ALDH1A1CYP4F2CYP4A11 | |
| SCHEMBL4885829 | 0.87 | POLB (0.44) | TSHRCYP3A4ALDH1A1CYP4F2CYP4A11 | |
| SCHEMBL5021535 | 0.87 | POLB (0.44) | TSHRCYP3A4ALDH1A1CYP4F2CYP4A11 | |
| SCHEMBL4886954 | 0.87 | POLB (0.44) | TSHRCYP3A4ALDH1A1CYP4F2CYP4A11 | |
| Hydrochloric Acid SCHEMBL29154738 | 0.85 | ALDH1A1 (0.54) | TSHRALDH1A1ATMHPGDACHE |
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 |
|---|---|---|---|---|---|---|---|
| EP-2788336-A1 | BENZOTHIAZOL- 6 -YL ACETIC ACID DERIVATIVES AND THEIR USE FOR TREATING AN HIV INFECTION | Gilead Sciences, Inc. (US) | 2014-10-15 | — | — | EP | disclosed |
| WO-2013159064-A1 | BENZOTHIAZOL- 6 -YL ACETIC ACID DERIVATIVES AND THEIR USE FOR TREATING AN HIV INFECTION | GILEAD SCIENCES, INC. (US) | 2013-10-24 | — | — | WO | disclosed |
| EP-2588455-A1 | 2 -QUINOLINYL- ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS | Gilead Sciences, Inc. (US) | 2013-05-08 | — | — | EP | disclosed |
| WO-2012003498-A1 | 2 -QUINOLINYL- ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2012-01-05 | — | — | WO | disclosed |