Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.40 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | KCNN4 | O15554 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3381201 | 0.84 | KMT2A (0.45) | CYP1A2KMT2AMAPTCYP2C19HIF1A | |
| SCHEMBL2089572 | 0.78 | CYP1A2 (0.50) | CYP1A2KMT2AMAPTCYP2C19HIF1A | |
| SCHEMBL754265 | 0.78 | CYP1A2 (0.50) | CYP1A2KMT2AMAPTCYP2C19HIF1A | |
| SCHEMBL2089573 | 0.78 | CYP1A2 (0.50) | CYP1A2KMT2AMAPTCYP2C19HIF1A | |
| SCHEMBL288100 | 0.76 | MAPT (0.45) | CYP1A2KMT2AMAPTCYP2C19HIF1A | |
| SCHEMBL674052 | 0.74 | KMT2A (0.44) | CYP1A2KMT2AMAPTCYP2C19HIF1A | |
| SCHEMBL6285599 | 0.74 | KMT2A (0.44) | CYP1A2KMT2AMAPTCYP2C19HIF1A | |
| SCHEMBL1560417 | 0.72 | MAPT (0.54) | CYP1A2KMT2AMAPTCYP2C19HIF1A | |
| SCHEMBL28593581 | 0.72 | KMT2A (0.41) | CYP1A2KMT2AMAPTCYP2C19HIF1A | |
| SCHEMBL9397678 | 0.70 | RIPK1 (0.46) | CYP1A2KMT2ACYP2C19HIF1AALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010017405-A1 | METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN | HELLER ADAM (US) | 2010-02-11 | — | — | WO | claimed |
| WO-2010017405-A1 | METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN | HELLER ADAM (US) | 2010-02-11 | — | — | WO | disclosed |