Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNN4 | O15554 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.37 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9876860 | 0.78 | CES1 (0.48) | KCNN4CYP2C19HIF1ACYP1A2CYP2D6 | |
| SCHEMBL5666953 | 0.77 | KCNN4 (0.47) | KCNN4CYP2C19HIF1ACYP1A2CYP2D6 | |
| SCHEMBL1096837 | 0.77 | KCNN4 (0.47) | KCNN4CYP2C19HIF1ACYP1A2CYP2D6 | |
| SCHEMBL11379208 | 0.77 | CYP2C19 (0.52) | KCNN4CYP2C19HIF1ACYP1A2CYP2D6 | |
| SCHEMBL10998615 | 0.76 | KIF11 (0.42) | CYP2C19HIF1ACYP1A2CYP2D6KMT2A | |
| SCHEMBL10998617 | 0.76 | KIF11 (0.42) | KCNN4CYP2C19HIF1ACYP1A2CYP2D6 | |
| SCHEMBL14878271 | 0.75 | KCNN4 (0.45) | KCNN4CYP2C19HIF1ACYP1A2CYP2D6 | |
| SCHEMBL20972999 | 0.75 | KCNN4 (0.45) | KCNN4CYP2C19HIF1ACYP1A2CYP2D6 | |
| SCHEMBL42458 | 0.75 | ALDH1A1 (0.56) | KCNN4CYP2C19HIF1ACYP1A2CYP2D6 | |
| Phosphine SCHEMBL10642479 | 0.75 | KCNN4 (0.45) | KCNN4CYP2C19HIF1ACYP1A2CYP2D6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0958275-A4 | SELECTIVE INHIBITORS OF PROSTAGLANDIN ENDOPEROXIDE SYNTHASE-2 | UNIV VANDERBILT (US) | 2004-12-01 | — | — | EP | disclosed |
| EP-0958275-A1 | SELECTIVE INHIBITORS OF PROSTAGLANDIN ENDOPEROXIDE SYNTHASE-2 | VANDERBILT UNIVERSITY (US) | 1999-11-24 | — | — | EP | disclosed |
| WO-1998029382-A1 | SELECTIVE INHIBITORS OF PROSTAGLANDIN ENDOPEROXIDE SYNTHASE-2 | VANDERBILT UNIVERSITY (US) | 1998-07-09 | — | — | WO | disclosed |