Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.67 |
| ▸ | TSHR | P16473 | 6/20 | 0.67 |
| ▸ | MEN1 | O00255 | 4/20 | 0.67 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.67 |
| ▸ | LMNA | P02545 | 4/20 | 0.67 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.67 |
| ▸ | USP2 | O75604 | 1/20 | 0.67 |
| ▸ | MAPT | P10636 | 3/20 | 0.62 |
| ▸ | HPGD | P15428 | 2/20 | 0.62 |
| ▸ | HK1 | P19367 | 1/20 | 0.62 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.62 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.62 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL6276309 | 0.84 | TSHR (0.71) | ALDH1A1TSHRMEN1KMT2ALMNA | |
| SCHEMBL6280222 | 0.80 | ALDH1A1 (0.74) | ALDH1A1TSHRMEN1KMT2ALMNA | |
| SCHEMBL6280016 | 0.79 | NPSR1 (0.69) | ALDH1A1TSHRMEN1KMT2ALMNA | |
| SCHEMBL6280252 | 0.77 | MEN1 (0.67) | ALDH1A1TSHRMEN1KMT2ALMNA | |
| SCHEMBL6274351 | 0.77 | MEN1 (0.80) | ALDH1A1TSHRMEN1KMT2ALMNA | |
| SCHEMBL6280699 | 0.77 | ALDH1A1 (0.81) | ALDH1A1TSHRMEN1KMT2ALMNA | |
| SCHEMBL6279510 | 0.77 | KMT2A (0.73) | ALDH1A1TSHRMEN1KMT2ALMNA | |
| SCHEMBL6279351 | 0.76 | ALDH1A1 (0.65) | ALDH1A1TSHRMEN1KMT2ALMNA | |
| SCHEMBL6273823 | 0.75 | KMT2A (1.00) | ALDH1A1TSHRMEN1KMT2ALMNA | |
| SCHEMBL6346019 | 0.75 | KMT2A (0.76) | ALDH1A1TSHRMEN1KMT2ALMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005115147-A2 | HIV REVERSE TRANSCRIPTASE INHIBITORS | MERCK & CO., INC. (US) | 2005-12-08 | — | — | WO | disclosed |