Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.52 |
| ▸ | CES1 | P23141 | 2/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | PAM | P19021 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 3/20 | 0.41 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | NOS3 | P29474 | 1/20 | 0.41 |
| ▸ | NOS1 | P29475 | 1/20 | 0.41 |
| ▸ | NOS2 | P35228 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5184996 | 0.79 | CES1 (0.55) | AKR1B1CES1CES2HIF1AIDO1 | |
| SCHEMBL18768682 | 0.76 | CES2 (0.46) | AKR1B1CES1CES2HIF1AIDO1 | |
| SCHEMBL3473792 | 0.76 | CES1 (0.46) | AKR1B1CES1CES2HIF1AIDO1 | |
| SCHEMBL31568852 | 0.76 | CTSL (0.47) | AKR1B1CES1CES2HIF1AIDO1 | |
| SCHEMBL11642649 | 0.75 | CES1 (0.46) | AKR1B1CES1CES2PAMLMNA | |
| SCHEMBL3917563 | 0.75 | CES1 (0.52) | AKR1B1CES1CES2HIF1APAM | |
| SCHEMBL3917561 | 0.75 | CES1 (0.52) | AKR1B1CES1CES2HIF1APAM | |
| SCHEMBL11642644 | 0.75 | CES1 (0.46) | AKR1B1CES1CES2PAMLMNA | |
| SCHEMBL2591317 | 0.74 | CES1 (0.50) | AKR1B1CES1CES2HIF1APAM | |
| Hydrochloric Acid SCHEMBL4304721 | 0.74 | CES2 (0.44) | AKR1B1CES1CES2HIF1AIDO1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7402595-B2 | Enzyme inhibitors with isoquinolinone structures | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-07-22 | — | — | US | disclosed |
| US-20050148624-A1 | Jnk inhibitor | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2005-07-07 | — | — | US | disclosed |
| EP-1484320-A1 | JNK INHIBITOR | Takeda Chemical Industries, Ltd. (JP) | 2004-12-08 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20050148624-A1 | Jnk inhibitor | MAPK3, MAPKAPK3, MAPK1 | AKR1B1 2083/4885CES1 2078/4885CES2 2833/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.