Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.44 |
| ▸ | ADRB2 | P07550 | 3/20 | 0.43 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11030322 | 0.79 | CYP1A2 (0.46) | ADRB2ADRB1CYP1A2CYP2D6TSHR | |
| Hydrochloric Acid SCHEMBL11052467 | 0.78 | CYP1A2 (0.45) | ADRB2ADRB1CYP1A2CYP2D6TSHR | |
| SCHEMBL10614406 | 0.76 | LMNA (0.54) | RAB9ANPC1ADRB2ADRB1CYP2D6 | |
| SCHEMBL23352506 | 0.74 | RAB9A (0.63) | HDAC1RAB9ANPC1ABCB1MEN1 | |
| SCHEMBL11642199 | 0.74 | ADRB3 (0.53) | HDAC1ADRB2ADRB1ADRB3 | |
| Acetic Acid SCHEMBL20819690 | 0.73 | ADRB1 (0.61) | ADRB2ADRB1CYP1A2CYP2D6TSHR | |
| Acetic Acid SCHEMBL20819695 | 0.73 | ADRB1 (0.61) | ADRB2ADRB1CYP1A2CYP2D6TSHR | |
| SCHEMBL11281120 | 0.72 | LMNA (0.55) | ADRB2ADRB1CYP1A2CYP2D6TSHR | |
| Carbuterol SCHEMBL37370 | 0.72 | ADRB2 (0.58) | ADRB2ADRB1CYP1A2CYP2D6TSHR | |
| Carbuterol SCHEMBL29393729 | 0.72 | ADRB2 (0.58) | ADRB2ADRB1CYP1A2CYP2D6TSHR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4119710-A | ANALGESICS, UTEROSPASMOLYTICS, ANTISPASTICS, BLOCKING AGENTS | BOEHRINGER INGELHEIM GMBH (DE) | 1978-10-10 | — | — | US | disclosed |