Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | NAAA | Q02083 | 2/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 8/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Cyclohexane SCHEMBL27631080 | 1.00 | CYP1A2 (0.52) | CYP1A2NAAAEPHX1SIGMAR1ACHE | |
| Cyclohexane SCHEMBL27704196 | 1.00 | CYP1A2 (0.52) | CYP1A2NAAAEPHX1SIGMAR1ACHE | |
| Hexane SCHEMBL7972177 | 1.00 | CYP1A2 (0.52) | CYP1A2NAAAEPHX1SIGMAR1ACHE | |
| Heptane SCHEMBL719492 | 0.97 | CYP1A2 (0.50) | CYP1A2NAAAEPHX1SIGMAR1TSHR | |
| Decane SCHEMBL9122050 | 0.97 | CYP1A2 (0.50) | CYP1A2NAAAEPHX1SIGMAR1TSHR | |
| Heptane SCHEMBL8847330 | 0.97 | CYP1A2 (0.50) | CYP1A2NAAAEPHX1SIGMAR1TSHR | |
| Heptane SCHEMBL8056393 | 0.97 | CYP1A2 (0.50) | CYP1A2NAAAEPHX1SIGMAR1TSHR | |
| Octane SCHEMBL1401728 | 0.97 | CYP1A2 (0.50) | CYP1A2NAAAEPHX1SIGMAR1TSHR | |
| Methylcyclopentane SCHEMBL6127737 | 0.97 | CYP1A2 (0.48) | CYP1A2NAAAEPHX1SIGMAR1ACHE | |
| Pentane SCHEMBL10409590 | 0.94 | CYP1A2 (0.52) | CYP1A2NAAAEPHX1SIGMAR1ACHE |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5827929-A | Functionalized initiators for anionic polymerization | FMC CORPORATION (US) | 1998-10-27 | — | — | US | disclosed |
| WO-1997024377-A1 | FUNCTIONALIZED INITIATORS FOR ANIONIC POLYMERIZATION | FMC CORPORATION (US) | 1997-07-10 | — | — | WO | disclosed |
| EP-0746572-A4 | NEW FUNCTIONALIZED INITIATORS FOR ANIONIC POLYMERIZATION | FMC CORP (US) | 1997-03-26 | — | — | EP | disclosed |
| EP-0746572-A1 | NEW FUNCTIONALIZED INITIATORS FOR ANIONIC POLYMERIZATION | FMC CORPORATION (US) | 1996-12-11 | — | — | EP | disclosed |
| WO-1995022566-A1 | NEW FUNCTIONALIZED INITIATORS FOR ANIONIC POLYMERIZATION | FMC CORPORATION (US) | 1995-08-24 | — | — | WO | disclosed |