Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.47 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | HTR1A | P08908 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | DRD1 | P21728 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 3/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3796363 | 0.80 | TDP1 (0.56) | ALDH1A1ALOX15HSD17B10MAPTHPGD | |
| SCHEMBL8793041 | 0.80 | TDP1 (0.56) | ALDH1A1ALOX15HSD17B10MAPTHPGD | |
| SCHEMBL10993216 | 0.80 | TDP1 (0.56) | ALDH1A1ALOX15HSD17B10MAPTHPGD | |
| SCHEMBL9393149 | 0.75 | CYP1A2 (0.69) | ALDH1A1ALOX15HSD17B10MAPTHPGD | |
| SCHEMBL12723230 | 0.75 | CYP1A2 (0.69) | ALDH1A1ALOX15HSD17B10MAPTHPGD | |
| SCHEMBL10749130 | 0.75 | KMT2A (0.58) | ALDH1A1ALOX15HSD17B10MAPTHPGD | |
| SCHEMBL12916553 | 0.71 | TDP1 (0.67) | ALDH1A1ALOX15HSD17B10MAPTHPGD | |
| SCHEMBL30673515 | 0.71 | CYP1A2 (0.67) | ALDH1A1ALOX15HSD17B10MAPTHPGD | |
| SCHEMBL11755634 | 0.70 | CYP1A2 (0.74) | ALDH1A1ALOX15HSD17B10MAPTHPGD | |
| SCHEMBL11193337 | 0.70 | CYP1A2 (0.74) | ALDH1A1ALOX15HSD17B10MAPTHPGD |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1994005651-A1 | 5-SUBSTITUTED 3-THIOPHENE SULFONAMIDES AS ANTIGLAUCOMA AGENTS | ALLERGAN, INC. (US) | 1994-03-17 | — | — | WO | disclosed |
| EP-0308021-A2 | Subsituted thieno (2,3-B)pyrole-5-sulfonamides as antiglaucoma agents | MERCK & CO. INC. (US) | 1989-03-22 | — | — | EP | disclosed |
| EP-0304222-A2 | Amino-2-hydroxypropyloximino-heterocycle beta blockers | MERCK & CO. INC. (US) | 1989-02-22 | — | — | EP | disclosed |
| EP-0296879-A1 | Substituted aromatic sulfonamides as antiglaucoma agents | MERCK & CO. INC. (US) | 1988-12-28 | — | — | EP | disclosed |