Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 4/20 | 0.34 |
| ▸ | NPC1 | O15118 | 3/20 | 0.34 |
| ▸ | IDO1 | P14902 | 3/20 | 0.34 |
| ▸ | TDO2 | P48775 | 2/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | DHODH | Q02127 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | RPS6KA2 | Q15349 | 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 | |
|---|---|---|---|---|
| SCHEMBL720515 | 0.79 | NPC1 (0.51) | RAB9ANPC1CYP2D6ALDH1A1HTT | |
| SCHEMBL718925 | 0.75 | NPC1 (0.55) | RAB9ANPC1IDO1TDO2BRD4 | |
| SCHEMBL721039 | 0.75 | NPC1 (0.44) | RAB9ANPC1IDO1TDO2BRD4 | |
| SCHEMBL720359 | 0.74 | KDM4E (0.34) | — | |
| SCHEMBL718548 | 0.73 | RAB9A (0.53) | RAB9ANPC1CYP3A4ALDH1A1HTT | |
| SCHEMBL717053 | 0.72 | NPC1 (0.45) | RAB9ANPC1IDO1TDO2BRD4 | |
| SCHEMBL720757 | 0.70 | CYP2C19 (0.48) | RAB9ANPC1ALDH1A1HTTNPSR1 | |
| SCHEMBL718063 | 0.70 | RAB9A (0.57) | RAB9ANPC1ALDH1A1SMN1; SMN2MEN1 | |
| SCHEMBL718862 | 0.69 | NPC1 (0.36) | RAB9ANPC1BRD4 | |
| SCHEMBL721192 | 0.69 | MCL1 (0.45) | RAB9ANPC1BRD4KCNH2ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8436043-B2 | Heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-05-07 | — | — | US | disclosed |
| US-20120270865-A2 | HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-10-25 | — | — | US | disclosed |
| US-20120053173-A1 | HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-03-01 | — | — | US | disclosed |
| EP-2251326-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2010-11-17 | — | — | 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 (2 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-20120053173-A1 | HETEROCYCLIC COMPOUND | SLC5A2, SLC5A1, IAPP | RAB9A 2454/4885NPC1 902/4885IDO1 2682/4885 |
| US-20120270865-A2 | HETEROCYCLIC COMPOUND | SLC5A2, SLC5A1, IAPP | RAB9A 2454/4885NPC1 902/4885IDO1 2682/4885 |
“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.