Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 4/20 | 0.43 |
| ▸ | RAB9A | P51151 | 4/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.40 |
| ▸ | WNT3A | P56704 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11290541 | 0.95 | ESR1 (0.41) | ESR1ESR2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL11285631 | 0.90 | ADRB2 (0.43) | ESR1ESR2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL11281887 | 0.90 | CTNNB1 (0.45) | ESR1ESR2NPC1RAB9ASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL10896185 | 0.89 | CTNNB1 (0.44) | ESR1ESR2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL11306292 | 0.88 | KMT2A (0.51) | ESR1ESR2NPC1RAB9ASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL11284141 | 0.87 | KMT2A (0.49) | ESR1ESR2NPC1RAB9ASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL11284840 | 0.87 | KMT2A (0.50) | ESR1ESR2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL11287848 | 0.86 | ADRB2 (0.40) | ESR1ESR2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL11420361 | 0.85 | NPC1 (0.45) | NPC1RAB9ASMN1; SMN2KMT2AMEN1 | |
| SCHEMBL11281683 | 0.85 | MAPT (0.41) | NPC1RAB9ASMN1; SMN2KMT2AMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4336400-A | BRONCHODILATOR AGENTS, CARDIOVASCULAR STIMULANTS | STERLING DRUG INC. (US) | 1982-06-22 | — | — | US | disclosed |
| US-RE30241-E | BRONCHODILATION, ADRENERGIC STIMULANTS | STERLING DRUG INC. (US) | 1980-03-25 | — | — | US | disclosed |
| US-4138581-A | BRONCHODILATOR AGENTS, ADRENERGIC STIMULANTS | STERLING DRUGS INC. (US) | 1979-02-06 | — | — | US | disclosed |