Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | BCL2L1 | Q07817 | 3/20 | 0.35 |
| ▸ | BAK1 | Q16611 | 3/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 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 | |
|---|---|---|---|---|
| Hexane SCHEMBL11704983 | 1.00 | CYP3A4 (0.42) | CYP3A4ALDH1A1TSHRTDP1USP2 | |
| SCHEMBL12499242 | 0.97 | ALDH1A1 (0.40) | CYP3A4ALDH1A1TSHRTDP1USP2 | |
| SCHEMBL4104163 | 0.76 | ALDH1A1 (0.47) | CYP3A4ALDH1A1TSHRTDP1USP2 | |
| SCHEMBL4107671 | 0.75 | ALDH1A1 (0.45) | CYP3A4ALDH1A1TSHRTDP1USP2 | |
| SCHEMBL7516844 | 0.73 | SPHK1 (0.42) | ALDH1A1TSHRLMNAMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL10437160 | 0.73 | BCL2L1 (0.49) | CYP3A4ALDH1A1TSHRTDP1USP2 | |
| Hexane SCHEMBL18741268 | 0.71 | SPHK2 (0.36) | ALDH1A1TSHRLMNAMEN1KMT2A | |
| SCHEMBL2140188 | 0.69 | ALDH1A1 (0.56) | CYP3A4ALDH1A1TSHRTDP1USP2 | |
| SCHEMBL4105045 | 0.69 | ALDH1A1 (0.55) | CYP3A4ALDH1A1TSHRTDP1USP2 | |
| SCHEMBL6142298 | 0.69 | CA2 (0.47) | CYP3A4ALDH1A1TSHRTDP1USP2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006104376-A1 | MIXING LIQUID FOR DENTAL PORCELAIN | ELEPHANT DENTAL B.V. (NL) | 2006-10-05 | — | — | WO | disclosed |
| EP-0300961-B1 | IMPROVED ANTI-BACTERIAL ORAL COMPOSITION CONTAINING BIS-BIGUANIDO HEXANES | WARNER-LAMBERT COMPANY (US) | 1992-09-09 | — | — | EP | disclosed |
| US-5100650-A | Increased activity of chlorhexidine, ethylene oxide-propylene oxide copolymer, ethoxylated hydrogenated castor oil, sorbitol | WARNER-LAMBERT COMPANY (US) | 1992-03-31 | — | — | US | disclosed |
| EP-0300961-A1 | Improved anti-bacterial oral composition containing bis-biguanido hexanes | WARNER-LAMBERT COMPANY (US) | 1989-01-25 | — | — | EP | disclosed |
| EP-0244363-A1 | Composition and method to inhibit the growth of organisms by the use of bis-biguanido hexanes and essential oil mixture combinations | WARNER-LAMBERT COMPANY (US) | 1987-11-04 | — | — | EP | disclosed |