Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRC | P12931 | 2/20 | 0.46 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.44 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | PARL | Q9H300 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3836440 | 0.79 | ALDH1A1 (0.62) | SRCCXCL8NOD1MAPTALDH1A1 | |
| SCHEMBL5500240 | 0.73 | CA12 (0.51) | SRCNOD1MAPTALDH1A1LMNA | |
| SCHEMBL3837213 | 0.73 | PPARG (0.61) | NOD1MAPTALDH1A1LMNA | |
| SCHEMBL27700600 | 0.73 | ALDH1A1 (0.53) | SRCCXCL8NOD1MAPTALDH1A1 | |
| SCHEMBL31579035 | 0.73 | HTR6 (0.52) | SRCNOD1MAPTALDH1A1LMNA | |
| SCHEMBL9789169 | 0.72 | PKM (0.46) | SRCALDH1A1LMNACYP3A4TSHR | |
| SCHEMBL6911498 | 0.68 | CYP2D6 (0.40) | SRCCYP2D6ALDH1A1CYP2C9CYP3A4 | |
| (Phenylsulfonyl)Benzene SCHEMBL8958296 | 0.68 | HTR6 (0.74) | ALDH1A1LMNATSHRMMP2L3MBTL1 | |
| (Phenylsulfonyl)Benzene SCHEMBL28297601 | 0.68 | HTR6 (0.74) | ALDH1A1LMNATSHRMMP2L3MBTL1 | |
| SCHEMBL23440300 | 0.67 | HSD11B1 (0.41) | CXCL8ALDH1A1TSHRPOLBRECQL |
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 |
|---|---|---|---|---|---|---|---|
| EP-2076492-A2 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | Merck & Co., Inc. (US) | 2009-07-08 | — | — | EP | claimed |
| WO-2008054605-A2 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | MERCK & CO., INC. (US) | 2008-05-08 | — | — | WO | claimed |