Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | GAA | P10253 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | JAK2 | O60674 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 4/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | GMNN | O75496 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11447956 | 0.77 | ALDH1A1 (0.38) | TSHRHPGDHSD17B10ALDH1A1CYP3A4 | |
| SCHEMBL11305268 | 0.77 | TP53 (0.47) | TSHRCA2TP53CA1MAPT | |
| SCHEMBL3232712 | 0.75 | KDM4E (0.49) | TSHRMAPTLMNAHPGDKDM4E | |
| SCHEMBL11124897 | 0.74 | HTR1B (0.43) | HPGDKDM4ETDP1ALDH1A1 | |
| SCHEMBL9507359 | 0.74 | LMNA (0.42) | TSHRGAALMNAHPGDALDH1A1 | |
| SCHEMBL19973199 | 0.74 | TSHR (0.52) | TSHRCA2TP53CA1MAPT | |
| SCHEMBL11377035 | 0.72 | SLC6A3 (0.49) | TSHRCA2CA1MAPTGAA | |
| SCHEMBL527140 | 0.71 | SCN4A (0.36) | TSHRCA2CA1KDM4EALDH1A1 | |
| SCHEMBL9427353 | 0.70 | CA2 (0.52) | TSHRCA2TP53CA1MAPT | |
| SCHEMBL7938292 | 0.69 | CA1 (0.35) | TSHRCA2TP53CA1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-5874436-A | EFFECTIVE IN INHIBITING THE ACTION OF A BACTERIAL HISTIDINE PROTEIN KINASE; USEFUL AGAINST ANTIBIOTIC RESISTANT ORGANISMS | DEMERS JAMES P (US) | 1999-02-23 | — | — | US | disclosed |
| US-5773469-A | Diaryl antimicrobial agents | ORTHO PHARMACEUTICAL CORPORATION (US) | 1998-06-30 | — | — | US | disclosed |
| WO-1997048676-A1 | TRIPHENYLALKYL ANTIMICROBIAL AGENTS | ORTHO PHARMACEUTICAL CORPORATION (US) | 1997-12-24 | — | — | WO | disclosed |
| WO-1997048674-A1 | DIARYL ANTIMICROBIAL AGENTS | ORTHO PHARMACEUTICAL CORPORATION (US) | 1997-12-24 | — | — | WO | disclosed |
| US-5643950-A | INHIBITORS OF A BACTERIAL HISTIDINE PROTEIN KINASE | ORTHO PHARMACEUTICAL CORPORATION (US) | 1997-07-01 | — | — | US | disclosed |