Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.65 |
| ▸ | PGR | P06401 | 2/20 | 0.59 |
| ▸ | HPGD | P15428 | 2/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | AR | P10275 | 2/20 | 0.56 |
| ▸ | NPC1 | O15118 | 2/20 | 0.56 |
| ▸ | RAB9A | P51151 | 2/20 | 0.56 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.50 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.50 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.50 |
| ▸ | NR3C2 | P08235 | 4/20 | 0.48 |
| ▸ | RORA | P35398 | 1/20 | 0.46 |
| ▸ | RORC | P51449 | 1/20 | 0.46 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.46 |
| ▸ | NR1H3 | Q13133 | 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 | |
|---|---|---|---|---|
| SCHEMBL14607550 | 0.81 | KMT2A (0.69) | KMT2APGRARHTTLMNA | |
| Hydrochloric Acid SCHEMBL10465859 | 0.80 | KMT2A (0.67) | KMT2APGRARHTTLMNA | |
| Phenyl Phenylmethanesulfonate SCHEMBL6912876 | 0.80 | KMT2A (1.00) | KMT2APGRHPGDARHTT | |
| Phenyl Phenylmethanesulfonate SCHEMBL27917341 | 0.78 | KMT2A (0.96) | KMT2APGRHPGDARHTT | |
| SCHEMBL9479731 | 0.76 | KMT2A (0.71) | KMT2APGRHPGDSMN1; SMN2AR | |
| SCHEMBL10571949 | 0.76 | KMT2A (0.76) | KMT2APGRSMN1; SMN2NPC1RAB9A | |
| SCHEMBL28790351 | 0.75 | HPGD (0.85) | PGRHPGDSMN1; SMN2ARNPC1 | |
| SCHEMBL28015271 | 0.75 | PGR (1.00) | PGRHPGDSMN1; SMN2ARNPC1 | |
| Hydrochloric Acid SCHEMBL10466655 | 0.74 | KMT2A (0.73) | KMT2APGRSMN1; SMN2NPC1RAB9A | |
| SCHEMBL22187191 | 0.73 | CA2 (0.57) | KMT2AHTT |
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 |