Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.48 |
| ▸ | KCNN4 | O15554 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.42 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2944462 | 0.88 | CYP1A2 (0.50) | CYP1A2CYP2D6MAPTKMT2ACYP2C19 | |
| SCHEMBL7100075 | 0.86 | CYP1A2 (0.48) | CYP1A2CYP2D6MAPTKMT2ACYP2C19 | |
| SCHEMBL28117943 | 0.82 | TDP1 (0.50) | CYP1A2CYP2D6MAPTKMT2ACYP2C19 | |
| SCHEMBL28757843 | 0.81 | CYP2C19 (0.47) | CYP1A2CYP2D6MAPTKMT2ACYP2C19 | |
| SCHEMBL11244960 | 0.80 | CYP2C19 (0.54) | CYP1A2CYP2D6MAPTKMT2ACYP2C19 | |
| SCHEMBL27312692 | 0.80 | CYP1A2 (0.43) | CYP1A2CYP2D6MAPTKMT2ACYP2C19 | |
| SCHEMBL6552317 | 0.78 | ALDH1A1 (0.58) | CYP1A2CYP2D6MAPTKMT2ACYP2C19 | |
| SCHEMBL21082836 | 0.77 | CYP1A2 (0.45) | CYP1A2CYP2D6MAPTKMT2ACYP2C19 | |
| SCHEMBL28135001 | 0.77 | CYP2D6 (0.49) | CYP1A2CYP2D6MAPTKMT2ACYP2C19 | |
| Ethane SCHEMBL984516 | 0.77 | ALDH1A1 (0.56) | CYP1A2CYP2D6MAPTKMT2ACYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010149688-A2 | ANTITUMORAL COMPOUNDS | PHARMA MAR, S.A. (ES) | 2010-12-29 | — | — | WO | disclosed |