Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | FAAH | O00519 | 1/20 | 0.34 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | TRPM8 | Q7Z2W7 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CRHBP | P24387 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL17555667 | 0.86 | UNG (0.46) | ALDH1A1CYP2C19NPC1MAPTMAPK1 | |
| SCHEMBL24141 | 0.80 | ALDH1A1 (0.39) | TDP1ALDH1A1TSHRCYP2C19NPC1 | |
| SCHEMBL1536837 | 0.79 | TP53 (0.44) | TP53TDP1PTGS2ALDH1A1TSHR | |
| SCHEMBL1025120 | 0.77 | — | — | |
| SCHEMBL1555330 | 0.77 | ALDH1A1 (0.50) | ALDH1A1TSHRCYP2C19MEN1KMT2A | |
| SCHEMBL17728900 | 0.76 | HTR3E (0.44) | TP53ALDH1A1TSHRNPC1MAPT | |
| SCHEMBL1026693 | 0.76 | ALDH1A1 (0.42) | TDP1ALDH1A1CYP2C19NPC1MEN1 | |
| SCHEMBL67323 | 0.76 | MTNR1A (0.44) | ALDH1A1NPC1RAB9AMEN1KMT2A | |
| SCHEMBL7379122 | 0.76 | RXRA (0.45) | TDP1ALDH1A1NPC1MAPTRAB9A | |
| SCHEMBL1025144 | 0.76 | SCN2A (0.39) | CYP2C19MEN1KMT2ACYP2C9CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2274288-A2 | MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS | Incyte Corporation (US) | 2011-01-19 | — | — | EP | disclosed |