Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | RET | P07949 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MGLL | Q99685 | 3/20 | 0.33 |
| ▸ | HTR6 | P50406 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | HPGD | P15428 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | PPARG | P37231 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL23803819 | 0.84 | ALDH1A1 (0.36) | TDP1ALDH1A1GLATP53TSHR | |
| SCHEMBL8366383 | 0.81 | SLC6A4 (0.48) | CYP3A4HTR2ACYP1A2 | |
| SCHEMBL30216213 | 0.77 | TDP1 (0.34) | TDP1ALDH1A1GLATP53TSHR | |
| SCHEMBL5718862 | 0.74 | RET (0.39) | TP53CYP3A4SMN1; SMN2RETMEN1 | |
| SCHEMBL4516491 | 0.74 | RET (0.42) | TP53CYP3A4SMN1; SMN2RETMEN1 | |
| SCHEMBL29434193 | 0.71 | RET (0.44) | ALDH1A1TP53CYP3A4SMN1; SMN2RET | |
| SCHEMBL23722666 | 0.70 | CYP3A4 (0.36) | ALDH1A1TP53CYP3A4SMN1; SMN2RET | |
| SCHEMBL8366384 | 0.70 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2MEN1KMT2AHTR2A | |
| SCHEMBL29815940 | 0.69 | EYA2 (0.43) | TDP1ALDH1A1GLATP53TSHR | |
| SCHEMBL4506450 | 0.69 | EYA2 (0.43) | TDP1ALDH1A1GLATP53TSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019185207-A1 | HYDROPHOBIC ORGANIC AEROGELS BASED ON EPOXY-ISOCYANATE POLYMER NETWORK | HENKEL AG & CO. KGAA (DE) | 2019-10-03 | — | — | WO | disclosed |
| US-4435397-A | ADRENERGIC BLOCKING AGENTS, 4-(3-ARYLOXY-2-HYDROXYPROPYL) SUBSTITUTED | NIPPON SHINYAKU CO., LTD. (JP) | 1984-03-06 | — | — | US | disclosed |
| US-4109088-A | ANTIDEPRESSANTS | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 1978-08-22 | — | — | US | disclosed |