Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | TSHR | P16473 | 4/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 4/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | RECQL | P46063 | 2/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.42 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | ABL1 | P00519 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | FADS1 | O60427 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8648069 | 0.85 | CYP3A4 (0.46) | ALDH1A1TSHRCYP3A4ALOX15SMN1; SMN2 | |
| SCHEMBL9639874 | 0.81 | ALDH1A1 (0.50) | ALDH1A1TSHRCYP3A4ALOX15TDP1 | |
| SCHEMBL11028747 | 0.79 | GAA (0.47) | ALDH1A1TSHRCYP3A4ALOX15HPGD | |
| SCHEMBL7763074 | 0.79 | CISD1 (0.41) | ALDH1A1TSHRCYP3A4ALOX15HPGD | |
| SCHEMBL11490908 | 0.78 | CA1 (0.50) | ALDH1A1TSHRCYP3A4ALOX15SMN1; SMN2 | |
| SCHEMBL8018538 | 0.78 | CA1 (0.38) | ALDH1A1TSHRCYP3A4ALOX15SMN1; SMN2 | |
| SCHEMBL8997103 | 0.78 | PKM (0.41) | ALDH1A1TSHRCYP3A4ALOX15HPGD | |
| SCHEMBL1062499 | 0.77 | CYP2C9 (0.51) | TSHRSMN1; SMN2TDP1HPGDCYP2C9 | |
| SCHEMBL10708307 | 0.76 | ALDH1A1 (0.39) | ALDH1A1TSHRCYP3A4ALOX15TDP1 | |
| SCHEMBL10448986 | 0.76 | CYP2C9 (0.39) | ALDH1A1ALOX15SMN1; SMN2HPGDHSD17B10 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0555036-B1 | Antitumor compositions and methods of treatment | LILLY CO ELI (US) | 1998-09-09 | — | — | EP | disclosed |
| US-5262440-A | Treatment of neoplasms | ELI LILLY AND COMPANY (US) | 1993-11-16 | — | — | US | disclosed |
| US-5254582-A | Using n-((3,4-dichlorophenyl)amino)carbonyl)-2,3-dihydro-benzofuran-5-sulfonamide | ELI LILLY AND COMPANY (US) | 1993-10-19 | — | — | US | disclosed |
| EP-0555036-A2 | Antitumor compositions and methods of treatment | ELI LILLY AND COMPANY (US) | 1993-08-11 | — | — | EP | disclosed |
| EP-0546763-A1 | Antitumor compositions and methods of treatment | ELI LILLY AND COMPANY (US) | 1993-06-16 | — | — | EP | disclosed |