Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | CASP1 | P29466 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | CASP7 | P55210 | 1/20 | 0.30 |
| ▸ | ATM | Q13315 | 1/20 | 0.30 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6890204 | 0.89 | — | — | |
| SCHEMBL6895643 | 0.85 | CYP1A2 (0.38) | CYP1A2CYP2A6 | |
| Hydrochloric Acid SCHEMBL7643736 | 0.80 | CYP1A2 (0.33) | CYP1A2CYP2A6CYP3A4HPGDTSHR | |
| SCHEMBL7808027 | 0.79 | CYP1A2 (0.33) | CYP1A2CYP2A6CYP3A4HPGDTSHR | |
| Hydrochloric Acid SCHEMBL6894703 | 0.78 | CYP1A2 (0.31) | CYP1A2CYP2A6 | |
| Hydrochloric Acid SCHEMBL3115502 | 0.78 | CYP1A2 (0.31) | CYP1A2CYP2A6 | |
| SCHEMBL6893906 | 0.76 | CYP1A2 (0.32) | CYP1A2CYP2A6 | |
| Hydrochloric Acid SCHEMBL3115496 | 0.75 | CYP1A2 (0.30) | CYP1A2CYP2A6 | |
| Hydrochloric Acid SCHEMBL7140827 | 0.75 | CYP1A2 (0.30) | CYP1A2CYP2A6 | |
| Hydrochloric Acid SCHEMBL6885643 | 0.75 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6759500-B1 | PRODUCING FIBERS, FILMS AND MOLDINGS, IN PARTICULAR FOR PRODUCING TUBES HAVING A HIGH CREEP RUPTURE STRENGTH UNDER INTERNAL PRESSURE | BASELL POLYOLEFINE GMBH (DE) | 2004-07-06 | — | — | US | disclosed |
| US-6506856-B2 | Preparing polymers based on monomers having a C-C double and/or C-C triple bond by polymerization of these monomers in the presence of catalyst system comprising as active constituents a compound of an early transition metal | BASF AKTIENGESELLSCHAFT (DE) | 2003-01-14 | — | — | US | disclosed |