Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.35 |
| ▸ | GRM5 | P41594 | 1/20 | 0.35 |
| ▸ | CLK1 | P49759 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | FAAH | O00519 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL743478 | 0.81 | NPSR1 (0.45) | NPSR1ALDH1A1POLBKMT2ANPC1 | |
| SCHEMBL12987971 | 0.78 | ALDH1A1 (0.39) | ALDH1A1HPGDPOLBTDP1TSHR | |
| SCHEMBL15228850 | 0.76 | BACE1 (0.42) | NPSR1ALDH1A1HPGDPOLBKMT2A | |
| SCHEMBL10064916 | 0.76 | ALDH1A1 (0.39) | ALDH1A1HPGDPOLBKMT2ANPC1 | |
| SCHEMBL5907732 | 0.76 | ALDH1A1 (0.39) | ALDH1A1HPGDPOLBKMT2ANPC1 | |
| SCHEMBL743035 | 0.76 | NPSR1 (0.40) | NPSR1ALDH1A1POLBKMT2ANPC1 | |
| SCHEMBL60214 | 0.76 | TAS2R14 (0.43) | NPSR1ALDH1A1POLBKMT2ANPC1 | |
| SCHEMBL1400663 | 0.75 | CLK1 (0.40) | ALDH1A1HPGDPOLBKMT2ATDP1 | |
| SCHEMBL27854835 | 0.75 | ALDH1A1 (0.37) | ALDH1A1HPGDTDP1TSHRGRM5 | |
| SCHEMBL10855054 | 0.73 | NPSR1 (0.50) | NPSR1ALDH1A1HPGDPOLBKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-8143393-B2 | Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis | BAYER HEALTHCARE LLC (US) | 2012-03-27 | — | — | US | disclosed |