Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GGPS1 | O95749 | 6/20 | 0.39 |
| ▸ | FDPS | P14324 | 9/20 | 0.38 |
| ▸ | SMPD1 | P17405 | 2/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.36 |
| ▸ | LPAR3 | Q9UBY5 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL25169840 | 0.91 | GGPS1 (0.36) | GGPS1FDPSSMPD1CES2LPAR1 | |
| SCHEMBL11038261 | 0.91 | GGPS1 (0.36) | GGPS1FDPSSMPD1CES2LPAR1 | |
| SCHEMBL8763217 | 0.91 | GGPS1 (0.36) | GGPS1FDPSSMPD1CES2LPAR1 | |
| SCHEMBL11044227 | 0.89 | FDPS (0.33) | GGPS1FDPSSMPD1CES2LPAR1 | |
| SCHEMBL10987824 | 0.85 | NAAA (0.38) | — | |
| SCHEMBL2017646 | 0.82 | NAAA (0.35) | — | |
| SCHEMBL25167739 | 0.82 | GGPS1 (0.39) | GGPS1FDPSSMPD1CES2LPAR1 | |
| SCHEMBL25169787 | 0.82 | GGPS1 (0.39) | GGPS1FDPSSMPD1CES2LPAR1 | |
| SCHEMBL25176597 | 0.82 | GGPS1 (0.39) | GGPS1FDPSSMPD1CES2LPAR1 | |
| SCHEMBL25170574 | 0.82 | GGPS1 (0.39) | GGPS1FDPSSMPD1CES2LPAR1 |
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-0025907-B1 | HALOGENATED TERTIARY ALKYL ISOCYANATES AND PROCESS FOR THEIR PREPARATION | BASF Aktiengesellschaft (DE) | 1984-06-20 | — | — | EP | disclosed |
| US-4344891-A | Halogenated tertiary alkyl isocyanates and their preparation | BASF AKTIENGESELLSCHAFT (DE) | 1982-08-17 | — | — | US | disclosed |
| EP-0025907-A1 | Halogenated tertiary alkyl isocyanates and process for their preparation | BASF Aktiengesellschaft (DE) | 1981-04-01 | — | — | EP | disclosed |