Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | CRHBP | P24387 | 1/20 | 0.34 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.34 |
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 | 0.80 | NPSR1 (0.45) | NPSR1TSHRALDH1A1POLBNPC1 | |
| SCHEMBL19714098 | 0.78 | NPSR1 (0.40) | NPSR1TSHRALDH1A1POLBNPC1 | |
| SCHEMBL8795221 | 0.76 | EDNRB (0.42) | NPSR1TSHRALDH1A1POLBNPC1 | |
| SCHEMBL57998 | 0.76 | NPSR1 (0.44) | NPSR1TSHRALDH1A1POLBNPC1 | |
| SCHEMBL20890494 | 0.72 | PARP1 (0.40) | NPSR1ALDH1A1PARP1 | |
| SCHEMBL60214 | 0.72 | TAS2R14 (0.43) | NPSR1ALDH1A1POLBNPC1HTT | |
| SCHEMBL8795041 | 0.72 | EDNRB (0.44) | NPSR1TSHRALDH1A1POLBNPC1 | |
| SCHEMBL16667853 | 0.71 | STK4 (0.39) | NPSR1ALDH1A1POLBKMT2AGLA | |
| SCHEMBL14182008 | 0.70 | PDE10A (0.41) | ALDH1A1KMT2APARP1 | |
| SCHEMBL10855054 | 0.69 | NPSR1 (0.50) | NPSR1TSHRALDH1A1POLBNPC1 |
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-8138336-B2 | Pyrrolotriazine derivatives useful for treating cancer through inhibition of aurora kinase | BAYER HEALTHCARE LLC (US) | 2012-03-20 | — | — | US | disclosed |