Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.31 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.31 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.31 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.31 |
| ▸ | CD44 | P16070 | 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 | |
|---|---|---|---|---|
| SCHEMBL8705403 | 0.69 | TSHR (0.38) | HDAC4TSHRACHECYP3A4TDP1 | |
| SCHEMBL4593516 | 0.68 | ACHE (0.33) | ACHETDP1 | |
| SCHEMBL11470022 | 0.63 | ACHE (0.45) | HDAC4TSHRACHECYP3A4TDP1 | |
| O-Xylene SCHEMBL2858075 | 0.63 | TSHR (0.71) | TSHRACHECYP3A4TDP1 | |
| O-Xylene SCHEMBL2589554 | 0.61 | TSHR (0.67) | TSHRACHECYP3A4TDP1 | |
| O-Xylene SCHEMBL10353038 | 0.61 | TSHR (0.67) | TSHRACHECYP3A4TDP1 | |
| SCHEMBL19743353 | 0.60 | PDK2 (0.43) | TSHRACHECYP3A4TDP1 | |
| O-Xylene SCHEMBL5375995 | 0.59 | — | — | |
| SCHEMBL8984654 | 0.57 | ESR1 (0.50) | HDAC4TSHRACHECYP3A4TDP1 | |
| SCHEMBL6351769 | 0.57 | ESR1 (0.50) | TSHRACHECYP3A4TDP1OPRM1 |
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 |