Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.42 |
| ▸ | BAD | Q92934 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | RXRA | P19793 | 2/20 | 0.39 |
| ▸ | RXRB | P28702 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 3/20 | 0.39 |
| ▸ | CA2 | P00918 | 3/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.39 |
| ▸ | CA3 | P07451 | 1/20 | 0.39 |
| ▸ | TYR | P14679 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4591209 | 0.72 | ALDH1A1 (0.36) | TSHRTP53KDM4EALDH1A1RAB9A | |
| Terephthalic Acid SCHEMBL9577834 | 0.70 | TSHR (0.80) | TSHRTP53BCL2L1BADALDH1A1 | |
| SCHEMBL69873 | 0.70 | TSHR (0.80) | TSHRTP53BCL2L1BADALDH1A1 | |
| SCHEMBL14018385 | 0.70 | TSHR (0.80) | TSHRTP53BCL2L1BADALDH1A1 | |
| SCHEMBL2637326 | 0.70 | TSHR (0.80) | TSHRTP53BCL2L1BADALDH1A1 | |
| SCHEMBL6667036 | 0.67 | TSHR (0.75) | TSHRTP53BCL2L1BADALDH1A1 | |
| Water SCHEMBL22788424 | 0.67 | TSHR (0.75) | TSHRTP53BCL2L1BADALDH1A1 | |
| Hydrochloric Acid SCHEMBL10348293 | 0.67 | TSHR (0.75) | TSHRTP53BCL2L1BADALDH1A1 | |
| Fluoride SCHEMBL20513068 | 0.67 | TSHR (0.75) | TSHRTP53BCL2L1BADALDH1A1 | |
| SCHEMBL21808797 | 0.67 | TSHR (0.75) | TSHRTP53BCL2L1BADALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7067512-B2 | Substituted 1,4-benzodiazepines and uses thereof | ORTHO-MCNEIL PHARMACEUTICAL, INC. | 2006-06-27 | — | — | US | claimed |