Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC2A1 | P11166 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | THRB | P10828 | 2/20 | 0.40 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.37 |
| ▸ | FYN | P06241 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | AHR | P35869 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.36 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.36 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10349448 | 0.94 | SLC2A1 (0.51) | SLC2A1ALDH1A1CYP1A2HSD17B10HPGD | |
| SCHEMBL10492815 | 0.85 | SLC2A1 (0.42) | SLC2A1ALDH1A1CYP1A2HSD17B10HPGD | |
| SCHEMBL9466230 | 0.81 | SLC2A1 (0.47) | SLC2A1ALDH1A1CYP1A2HSD17B10HPGD | |
| SCHEMBL10348864 | 0.80 | KMT2A (0.41) | SLC2A1ALDH1A1CYP1A2HSD17B10HPGD | |
| SCHEMBL10488406 | 0.78 | HTR2A (0.43) | SLC2A1ALDH1A1CYP1A2HSD17B10HPGD | |
| SCHEMBL10488213 | 0.78 | CYP1A2 (0.40) | SLC2A1CYP1A2KMT2ANPBWR1MCHR1 | |
| SCHEMBL10561649 | 0.77 | KMT2A (0.43) | SLC2A1ALDH1A1CYP1A2HSD17B10HPGD | |
| Hydrochloric Acid SCHEMBL10488372 | 0.77 | KMT2A (0.43) | SLC2A1ALDH1A1CYP1A2HSD17B10HPGD | |
| Hydrochloric Acid SCHEMBL10571382 | 0.76 | CYP1A2 (0.39) | SLC2A1CYP1A2KMT2ANPBWR1MCHR1 | |
| SCHEMBL10488852 | 0.76 | CD274 (0.42) | SLC2A1ALDH1A1CYP1A2HSD17B10HPGD |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4882358-A | ANTITUMOR AGENTS | BURROUGHS WELLCOME CO. (US) | 1989-11-21 | — | — | US | disclosed |
| US-4827034-A | ANTITUMOR | BURROUGHS WELLCOME CO. (US) | 1989-05-02 | — | — | US | disclosed |
| US-4814502-A | ANTITUMOR AGENTS, ANTICARCINOGENIC AGENTS | BURROUGHS WELLCOME CO. (US) | 1989-03-21 | — | — | US | disclosed |
| US-4810823-A | ANTITUMOR AGENTS | BURROUGHS WELLCOME CO. (US) | 1989-03-07 | — | — | US | disclosed |
| US-4808753-A | ANTITUMOR AGENTS | BURROUGHS WELLCOME CO. (US) | 1989-02-28 | — | — | US | disclosed |
| US-4791233-A | ANTITUMOR AGENTS | BURROUGHS WELLCOME CO. (US) | 1988-12-13 | — | — | US | disclosed |
| US-4791231-A | ANTITUMOR AGENTS | BURROUGHS WELLCOME CO. (US) | 1988-12-13 | — | — | US | disclosed |
| US-4791232-A | ANTITUMOR AGENTS | BURROUGHS WELLCOME CO. (US) | 1988-12-13 | — | — | US | disclosed |