Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | ACHE | P22303 | 1/20 | 0.53 |
| ▸ | MAOA | P21397 | 4/20 | 0.52 |
| ▸ | MAOB | P27338 | 2/20 | 0.52 |
| ▸ | SCN4A | P35499 | 7/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | SCN1A | P35498 | 2/20 | 0.48 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.48 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.48 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.48 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.48 |
| ▸ | KCNK2 | O95069 | 1/20 | 0.48 |
| ▸ | GBA1 | P04062 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| O-Xylene SCHEMBL27796014 | 0.84 | TSHR (0.53) | TSHRACHEMAOAMAOBSCN4A | |
| O-Xylene SCHEMBL27581357 | 0.83 | TSHR (0.67) | TSHRALDH1A1ACHEMAOAMAOB | |
| Biphenyl SCHEMBL10980681 | 0.79 | CHRNB2 (0.54) | ALDH1A1MAOAMAOBSLC6A4HTR2A | |
| Ortetamine SCHEMBL27660676 | 0.78 | TAAR1 (0.52) | MAOAMAOBSLC6A4HTR2AHTR2B | |
| Ortetamine SCHEMBL29388899 | 0.78 | TAAR1 (0.52) | MAOAMAOBSLC6A4HTR2AHTR2B | |
| Ortetamine SCHEMBL42180 | 0.78 | TAAR1 (0.52) | MAOAMAOBSLC6A4HTR2AHTR2B | |
| Ortetamine SCHEMBL209899 | 0.78 | TAAR1 (0.52) | MAOAMAOBSLC6A4HTR2AHTR2B | |
| Ortetamine SCHEMBL3460028 | 0.78 | TAAR1 (0.52) | MAOAMAOBSLC6A4HTR2AHTR2B | |
| O-Xylene SCHEMBL28550267 | 0.78 | TSHR (0.59) | TSHRALDH1A1ACHEMAOAMAOB | |
| O-Xylene SCHEMBL28238793 | 0.77 | ACHE (0.67) | TSHRALDH1A1ACHECYP1A2CYP3A4 |
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-0668885-A4 | POLYMERIC BIGUANIDES. | STOCKEL RICHARD F (US) | 1998-09-30 | — | — | EP | disclosed |
| EP-0668885-A1 | POLYMERIC BIGUANIDES | STOCKEL, Richard F. (US) | 1995-08-30 | — | — | EP | disclosed |
| WO-1990011315-A1 | POLYMERIC BIGUANIDES | STOCKEL RICHARD F (US) | 1990-10-04 | — | — | WO | disclosed |