Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 5/20 | 0.43 |
| ▸ | VKORC1 | Q9BQB6 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 4/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | EYA3 | Q99504 | 2/20 | 0.36 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CRHBP | P24387 | 1/20 | 0.36 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL719970 | 0.84 | CYP2C19 (0.49) | CYP2C19VKORC1KMT2AALDH1A1MAPT | |
| SCHEMBL716824 | 0.73 | NPC1 (0.48) | CYP2C19VKORC1KMT2AALDH1A1MAPT | |
| SCHEMBL14299512 | 0.73 | CYP2C19 (0.54) | CYP2C19KMT2AALDH1A1MAPTHPGD | |
| SCHEMBL11637773 | 0.68 | CYP2C19 (0.49) | CYP2C19KMT2AALDH1A1MAPTHPGD | |
| SCHEMBL4806386 | 0.67 | CYP2C19 (0.69) | CYP2C19VKORC1ALDH1A1HSD17B10KDM4E | |
| SCHEMBL11637488 | 0.67 | CYP2C19 (0.48) | CYP2C19KMT2AALDH1A1MAPTHPGD | |
| SCHEMBL3099505 | 0.67 | KDM4E (0.33) | ALDH1A1NPC1RAB9AKDM4ETSHR | |
| Hydrochloric Acid SCHEMBL11637777 | 0.66 | CYP2C19 (0.50) | CYP2C19KMT2AALDH1A1MAPTHPGD | |
| SCHEMBL11638728 | 0.66 | CYP2C19 (0.47) | CYP2C19KMT2AALDH1A1MAPTHPGD | |
| SCHEMBL11640926 | 0.66 | CYP2C19 (0.50) | CYP2C19KMT2AALDH1A1MAPTHPGD |
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 | CYP2C19 946/4885VKORC1 513/4885KMT2A 1298/4885 |
| US-20120270865-A2 | HETEROCYCLIC COMPOUND | SLC5A2, SLC5A1, IAPP | CYP2C19 946/4885VKORC1 513/4885KMT2A 1298/4885 |
“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.