Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 3/20 | 0.65 |
| ▸ | LMNA | P02545 | 5/20 | 0.59 |
| ▸ | MAPT | P10636 | 4/20 | 0.58 |
| ▸ | HPGD | P15428 | 1/20 | 0.57 |
| ▸ | THRB | P10828 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL1702862 | 0.85 | ALDH1A1 (0.56) | TP53LMNAMAPTALDH1A1CYP1A2 | |
| SCHEMBL1702962 | 0.81 | ALDH1A1 (0.66) | LMNAMAPTHPGDALDH1A1CYP1A2 | |
| SCHEMBL13236226 | 0.75 | TP53 (1.00) | TP53LMNAMAPTHPGDTHRB | |
| SCHEMBL1702876 | 0.70 | MAPT (0.52) | TP53LMNAMAPTHPGDALDH1A1 | |
| SCHEMBL1703004 | 0.69 | ALDH1A1 (0.52) | LMNAMAPTALDH1A1CYP1A2L3MBTL1 | |
| SCHEMBL6403512 | 0.69 | KMT2A (0.70) | LMNAMAPTALDH1A1CYP1A2MEN1 | |
| SCHEMBL4207071 | 0.68 | PTGES (0.72) | LMNAALDH1A1CYP1A2L3MBTL1MEN1 | |
| SCHEMBL5821874 | 0.67 | ALDH1A1 (0.53) | LMNAMAPTALDH1A1CYP1A2L3MBTL1 | |
| SCHEMBL6277594 | 0.67 | ALDH1A1 (0.64) | LMNAMAPTHPGDALDH1A1CYP1A2 | |
| SCHEMBL4207324 | 0.67 | ALDH1A1 (0.62) | TP53LMNAMAPTHPGDTHRB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1569919-B1 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | BOEHRINGER INGELHEIM INT (DE) | 2012-04-18 | — | — | EP | disclosed |
| US-7642277-B2 | Non-nucleoside reverse transcriptase inhibitors | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-01-05 | — | — | US | disclosed |
| US-7642277-B2 | Non-nucleoside reverse transcriptase inhibitors | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-01-05 | — | — | US | disclosed |