Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERCC1 | P07992 | 1/20 | 0.54 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | MME | P08473 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL12131750 | 0.85 | ERCC1 (0.70) | ERCC1ERCC4KMT2AMAPTLMNA | |
| SCHEMBL9297609 | 0.81 | KMT2A (0.55) | KMT2AMAPTMEN1ALDH1A1 | |
| SCHEMBL17372234 | 0.79 | CYP2C19 (0.52) | KMT2ALMNACYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8760 | 0.79 | KMT2A (0.67) | ERCC1ERCC4KMT2AMAPTCYP2D6 | |
| SCHEMBL24558042 | 0.79 | ERCC1 (0.64) | ERCC1ERCC4KMT2AMAPTLMNA | |
| SCHEMBL18887748 | 0.78 | ERCC1 (0.67) | ERCC1ERCC4KMT2AMAPTLMNA | |
| SCHEMBL12757443 | 0.78 | KMT2A (0.63) | ERCC1ERCC4KMT2ALMNAMEN1 | |
| Hydrochloric Acid SCHEMBL23235729 | 0.78 | KMT2A (0.65) | ERCC1ERCC4KMT2AMAPTCYP2D6 | |
| SCHEMBL22060015 | 0.78 | ERCC1 (0.62) | ERCC1ERCC4KMT2AMAPTLMNA | |
| SCHEMBL12134066 | 0.78 | ERCC1 (0.62) | ERCC1ERCC4KMT2AMAPTMME |
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-8198458-B2 | Non-nucleoside reverse transcriptase inhibitors | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-06-12 | — | — | US | disclosed |