Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.61 |
| ▸ | CA2 | P00918 | 3/20 | 0.61 |
| ▸ | CA12 | O43570 | 2/20 | 0.61 |
| ▸ | CA9 | Q16790 | 2/20 | 0.61 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.61 |
| ▸ | MAPT | P10636 | 3/20 | 0.59 |
| ▸ | POLB | P06746 | 1/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | CA7 | P43166 | 1/20 | 0.50 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.49 |
| ▸ | NAMPT | P43490 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | SCD | O00767 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4818576 | 0.84 | RAB9A (0.63) | CA1CA2CA12CA9CA14 | |
| SCHEMBL6541436 | 0.84 | MAPT (0.61) | CA1CA2CA12CA9CA14 | |
| SCHEMBL28961365 | 0.82 | CA12 (0.61) | CA1CA2CA12CA9CA14 | |
| SCHEMBL18364959 | 0.81 | CA12 (0.65) | CA1CA2CA12CA9CA14 | |
| SCHEMBL14297345 | 0.81 | CA12 (0.65) | CA1CA2CA12CA9CA14 | |
| SCHEMBL5561237 | 0.81 | POLB (0.74) | CA1CA2CA12CA9CA14 | |
| SCHEMBL6646101 | 0.80 | CA1 (0.63) | CA1CA2CA12CA9CA14 | |
| SCHEMBL2601677 | 0.80 | CA12 (0.63) | CA1CA2CA12CA9CA14 | |
| SCHEMBL28856783 | 0.80 | CA2 (0.68) | CA1CA2CA12CA9CA14 | |
| SCHEMBL2605517 | 0.80 | CA12 (0.63) | CA1CA2CA12CA9CA14 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4855314-A | VASOCONTRICTORS, TREATMENT OF MIGRAINES, 3-(AMINO-ETHYL)-5-(PHENYL(ALKYL)-CARBONYL OR SULFONYL-AMINOALKYL SUBSTITUTED | GLAXO GROUP LIMITED (GB) | 1989-08-08 | — | — | US | disclosed |
| EP-0240096-A1 | Indole derivatives having a selective vasoconstrictor activity | GLAXO GROUP LIMITED (GB) | 1987-10-07 | — | — | EP | disclosed |