Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 5/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 2/20 | 0.31 |
| ▸ | CNR2 | P34972 | 2/20 | 0.31 |
| ▸ | ACHE | P22303 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Benzene SCHEMBL4593432 | 0.83 | TSHR (0.38) | HPGDTSHRALDH1A1MAPT | |
| SCHEMBL16975529 | 0.82 | KIF11 (0.37) | KIF11CYP3A4CYP2D6CYP2C9CYP2C19 | |
| O-Xylene SCHEMBL4593695 | 0.79 | CYP19A1 (0.34) | KIF11TSHRACHE | |
| SCHEMBL9911072 | 0.79 | CNR1 (0.36) | KIF11CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9911077 | 0.78 | PTPN5 (0.34) | KIF11CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL11870534 | 0.74 | KIF11 (0.47) | KIF11CYP3A4CYP2D6CYP2C9CYP2C19 | |
| Chlorobenzene SCHEMBL4593782 | 0.73 | TSHR (0.35) | KIF11TSHRLMNA | |
| Bromobenzene SCHEMBL4593844 | 0.72 | ALDH1A1 (0.34) | ALDH1A1 | |
| Diphenylether SCHEMBL4592882 | 0.71 | LTA4H (0.36) | TSHRNPC1RAB9ASMN1; SMN2LMNA | |
| SCHEMBL2816468 | 0.70 | ALDH1A1 (0.39) | CYP3A4SMN1; SMN2ALDH1A1MAPTCNR1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1937257-A1 | NOVEL ANTIBIOTICS COMPRISING BIS(1-ARYL-5-TETRAZ0LYL)METHANE DERIVATIVES | Nederlandse Organisatie voor toegepast- natuurwetenschappelijk onderzoek TNO (NL) | 2008-07-02 | — | — | EP | claimed |
| WO-2007037685-A1 | NOVEL ANTIBIOTICS COMPRISING BIS(1-ARYL-5-TETRAZ0LYL)METHANE DERIVATIVES | NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) | 2007-04-05 | — | — | WO | claimed |
| EP-1937257-A1 | NOVEL ANTIBIOTICS COMPRISING BIS(1-ARYL-5-TETRAZ0LYL)METHANE DERIVATIVES | Nederlandse Organisatie voor toegepast- natuurwetenschappelijk onderzoek TNO (NL) | 2008-07-02 | — | — | EP | disclosed |
| WO-2007037685-A1 | NOVEL ANTIBIOTICS COMPRISING BIS(1-ARYL-5-TETRAZ0LYL)METHANE DERIVATIVES | NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) | 2007-04-05 | — | — | WO | disclosed |