Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | TOP1 | P11387 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | CFD | P00746 | 2/20 | 0.41 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.40 |
| ▸ | TNFSF11 | O14788 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | GAPDH | P04406 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | JUN | P05412 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11184869 | 0.92 | TSHR (0.54) | TSHRKDM4EALDH1A1GAARAB9A | |
| SCHEMBL4163589 | 0.87 | TRPA1 (0.49) | TSHRKDM4EALDH1A1GAARAB9A | |
| SCHEMBL17010343 | 0.84 | CFD (0.59) | TSHRKDM4EALDH1A1GAARAB9A | |
| SCHEMBL3420578 | 0.77 | LMNA (0.53) | TSHRKDM4EALDH1A1GAATRPA1 | |
| SCHEMBL9358807 | 0.75 | TUBB4A (0.47) | TSHRALDH1A1GAACYP3A4TOP1 | |
| SCHEMBL29600721 | 0.74 | HTR3E (0.53) | TSHRKDM4EALDH1A1TRPA1CYP3A4 | |
| SCHEMBL307695 | 0.74 | HTR3E (0.53) | TSHRKDM4EALDH1A1TRPA1CYP3A4 | |
| SCHEMBL9652679 | 0.73 | TSHR (0.60) | TSHRKDM4EALDH1A1GAARAB9A | |
| SCHEMBL9679799 | 0.73 | TSHR (0.55) | TSHRKDM4EALDH1A1GAARAB9A | |
| SCHEMBL10827257 | 0.70 | CYP3A4 (0.44) | TSHRKDM4EALDH1A1GAARAB9A |
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 |
|---|---|---|---|---|---|---|---|
| US-5189157-A | ANTIBACTERIAL CEPHALOSPORIN COMPOUNDS | HOFFMANN LA ROCHE INC. (US) | 1993-02-23 | — | — | US | disclosed |
| US-5143911-A | Bactericides | BRISTOL-MYERS SQUIBB COMPANY (US) | 1992-09-01 | — | — | US | disclosed |
| EP-0475150-A1 | Antibiotic C-3 di-hydroxyphenyl substituted cephalosporin compounds, compositions and use thereof | Bristol-Myers Squibb Company (US) | 1992-03-18 | — | — | EP | disclosed |
| EP-0265185-A2 | Cephalosporins, processes for their preparation and pharmaceutical compositions containing them | BEECHAM GROUP PLC (GB) | 1988-04-27 | — | — | EP | disclosed |