Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.69 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.69 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.69 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.69 |
| ▸ | HTR1A | P08908 | 1/20 | 0.69 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.69 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.69 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.69 |
| ▸ | DRD1 | P21728 | 1/20 | 0.69 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.69 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.69 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.60 |
| ▸ | BLM | P54132 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL12723230 | 1.00 | CYP1A2 (0.69) | CYP1A2ADRB2ADRB1CYP3A4HTR1A | |
| Fumaric Acid SCHEMBL6706562 | 0.92 | BLM (0.73) | CYP1A2ADRB2ADRB1CYP3A4HTR1A | |
| Maleic Acid SCHEMBL6706559 | 0.92 | BLM (0.73) | CYP1A2ADRB2ADRB1CYP3A4HTR1A | |
| Fumaric Acid SCHEMBL11418644 | 0.89 | BLM (0.70) | CYP1A2ADRB2ADRB1CYP3A4HTR1A | |
| Maleic Acid SCHEMBL11418592 | 0.89 | BLM (0.70) | CYP1A2ADRB2ADRB1CYP3A4HTR1A | |
| SCHEMBL21505039 | 0.88 | CYP1A2 (0.69) | CYP1A2ADRB2ADRB1CYP3A4HTR1A | |
| SCHEMBL21505432 | 0.87 | CYP1A2 (0.69) | CYP1A2ADRB2ADRB1CYP3A4HTR1A | |
| SCHEMBL10983705 | 0.87 | CYP1A2 (0.74) | CYP1A2ADRB2ADRB1CYP3A4HTR1A | |
| SCHEMBL13149011 | 0.84 | CYP1A2 (0.77) | CYP1A2ADRB2ADRB1CYP3A4HTR1A | |
| SCHEMBL6706561 | 0.83 | SMN1; SMN2 (0.54) | CYP1A2ADRB2ADRB1CYP3A4HTR1A |
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-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 |