Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | EDNRA | P25101 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | KDM1A | O60341 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | TP53 | P04637 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL23532053 | 0.76 | EDNRA (0.67) | NPC1RAB9AEDNRAKDM4EKDM1A | |
| SCHEMBL717829 | 0.75 | NPC1 (0.68) | CYP2C19NPC1RAB9AHTTKDM4E | |
| SCHEMBL719825 | 0.75 | CYP2C19 (0.47) | CYP2C19NPC1RAB9AHTTKDM4E | |
| SCHEMBL716884 | 0.73 | NPC1 (0.66) | CYP2C19NPC1RAB9AHTTKDM4E | |
| SCHEMBL719878 | 0.73 | EDNRA (0.47) | NPC1RAB9AEDNRAKDM4EKDM1A | |
| SCHEMBL30136721 | 0.73 | EDNRA (0.47) | NPC1RAB9AEDNRAKDM4EKDM1A | |
| SCHEMBL23532178 | 0.73 | KDM1A (0.52) | NPC1RAB9AEDNRAKDM1ATSHR | |
| SCHEMBL23536765 | 0.71 | KMT2A (0.49) | CYP2C19NPC1RAB9AALDH1A1HPGD | |
| SCHEMBL719495 | 0.70 | NPC1 (0.50) | CYP2C19NPC1RAB9AHTTKDM4E | |
| SCHEMBL721493 | 0.70 | RAB9A (0.34) | CYP2C19NPC1RAB9AHTTALDH1A1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8742187-B2 | Variations on prins-like chemistry to produce 2,5-dimethylhexadiene from isobutanol | GEVO, INC. (US) | 2014-06-03 | — | — | US | disclosed |
| EP-2699618-A2 | VARIATIONS ON PRINS-LIKE CHEMISTRY TO PRODUCE 2,5-DIMETHYLHEXADIENE FROM ISOBUTANOL | GEVO, Inc. (US) | 2014-02-26 | — | — | EP | disclosed |
| US-8436043-B2 | Heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-05-07 | — | — | US | disclosed |
| WO-2012145495-A2 | VARIATIONS ON PRINS-LIKE CHEMISTRY TO PRODUCE 2,5-DIMETHYLHEXADIENE FROM ISOBUTANOL | GEVO, INC. (US) | 2012-10-26 | — | — | WO | disclosed |
| US-20120270865-A2 | HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-10-25 | — | — | US | disclosed |
| US-20120271082-A1 | VARIATIONS ON PRINS-LIKE CHEMISTRY TO PRODUCE 2,5-DIMETHYLHEXADIENE FROM ISOBUTANOL | GEVO, INC. (US) | 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 946/4885NPC1 902/4885RAB9A 2454/4885 |
| US-20120270865-A2 | HETEROCYCLIC COMPOUND | SLC5A2, SLC5A1, IAPP | CYP2C19 946/4885NPC1 902/4885RAB9A 2454/4885 |
“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.