Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TTR | P02766 | 1/20 | 0.69 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.60 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.60 |
| ▸ | TSHR | P16473 | 1/20 | 0.59 |
| ▸ | CA12 | O43570 | 1/20 | 0.57 |
| ▸ | CA1 | P00915 | 1/20 | 0.57 |
| ▸ | CA2 | P00918 | 1/20 | 0.57 |
| ▸ | CA7 | P43166 | 1/20 | 0.57 |
| ▸ | CA9 | Q16790 | 1/20 | 0.57 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.57 |
| ▸ | FDPS | P14324 | 1/20 | 0.51 |
| ▸ | CYP1A1 | P04798 | 5/20 | 0.51 |
| ▸ | CYP1B1 | Q16678 | 5/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.50 |
| ▸ | TUBB | P07437 | 1/20 | 0.50 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.50 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL17955067 | 0.91 | TTR (0.81) | TTRALDH1A1CYP2A6TSHRFDPS | |
| SCHEMBL26936583 | 0.90 | TTR (0.79) | TTRALDH1A1CYP2A6TSHRFDPS | |
| SCHEMBL5607201 | 0.87 | TTR (0.65) | TTRALDH1A1CYP2A6TSHRFDPS | |
| SCHEMBL27670275 | 0.83 | TTR (0.74) | TTRALDH1A1CYP2A6TSHRFDPS | |
| SCHEMBL7560864 | 0.83 | CA12 (0.74) | TTRALDH1A1CA12CA1CA2 | |
| SCHEMBL3969737 | 0.82 | ALDH1A1 (0.70) | TTRALDH1A1CYP2A6TSHRCA12 | |
| 3,4-Dimethoxybenzaldehyde SCHEMBL17888881 | 0.82 | ALDH1A1 (0.81) | TTRALDH1A1CYP2A6TSHRCA12 | |
| SCHEMBL27983148 | 0.82 | TTR (0.72) | TTRALDH1A1TSHRFDPSCYP1A1 | |
| SCHEMBL4258455 | 0.82 | TTR (0.72) | TTRALDH1A1TSHRCA1CA2 | |
| SCHEMBL26936729 | 0.82 | TTR (0.72) | TTRALDH1A1TSHRFDPSCYP1A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016019588-A1 | OXACAZONE COMPOUNDS TO TREAT CLOSTRIDIUM DIFFICILE | THE BROAD INSTITUTE, INC. (US) | 2016-02-11 | — | — | WO | disclosed |
| WO-2016019588-A1 | OXACAZONE COMPOUNDS TO TREAT CLOSTRIDIUM DIFFICILE | THE BROAD INSTITUTE, INC. (US) | 2016-02-11 | — | — | WO | disclosed |