Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.50 |
| ▸ | TP53 | P04637 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | PKM | P14618 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | PPARG | P37231 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | VDR | P11473 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 6/20 | 0.41 |
| ▸ | NPC1 | O15118 | 5/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11244567 | 1.00 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2TP53TSHRHIF1A | |
| SCHEMBL31525966 | 0.86 | ALDH1A1 (0.48) | ALDH1A1SMN1; SMN2TP53TSHRHIF1A | |
| SCHEMBL1357057 | 0.84 | ALDH1A1 (0.62) | ALDH1A1SMN1; SMN2TP53TSHRHIF1A | |
| SCHEMBL7963745 | 0.83 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2TP53TSHRHIF1A | |
| SCHEMBL7963747 | 0.83 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2TP53TSHRHIF1A | |
| SCHEMBL7963743 | 0.83 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2TP53TSHRHIF1A | |
| SCHEMBL7705003 | 0.82 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2TP53TSHRHIF1A | |
| SCHEMBL9628829 | 0.82 | ALDH1A1 (0.57) | ALDH1A1SMN1; SMN2TP53TSHRHIF1A | |
| SCHEMBL9923604 | 0.82 | ALDH1A1 (0.45) | ALDH1A1SMN1; SMN2TP53TSHRHIF1A | |
| SCHEMBL7713504 | 0.81 | ALDH1A1 (0.51) | ALDH1A1SMN1; SMN2TP53TSHRHIF1A |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4336382-A | ADRENERGIC BLOCKING AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1982-06-22 | — | — | US | disclosed |
| US-4329289-A | Adrenergic blocking agents | HOFFMANN-LA ROCHE INC. (US) | 1982-05-11 | — | — | US | disclosed |
| US-4314085-A | Intermediates for preparing adrenergic blocking agents | HOFFMANN-LA ROCHE INC. (US) | 1982-02-02 | — | — | US | disclosed |
| US-4304721-A | Adrenergic blocking agents | HOFFMANN-LA ROCHE INC. (US) | 1981-12-08 | — | — | US | disclosed |
| US-4301300-A | ADRENERGIC BLOCKING AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1981-11-17 | — | — | US | disclosed |
| US-4285873-A | ANTIANDROGENS | HOFFMANN-LA ROCHE INC. (US) | 1981-08-25 | — | — | US | disclosed |
| US-4278608-A | Adrenergic blocking agents | HOFFMANN-LA ROCHE INC. (US) | 1981-07-14 | — | — | US | disclosed |
| US-4247710-A | THE 3'-HYDROXY, -BENZYLOXY, OR -HALO DERIVATIVES OF METHYL 4-((2'-HYDROXYPROPYL)OXY)PHENYLACETATE | HOFFMANN-LA ROCHE INC. (US) | 1981-01-27 | — | — | US | disclosed |
| US-4202978-A | ADRENERGIC BLOCKING AGENTS, HYPOTENSIVE, ANTISECRETORY, SPASMOLYTIC | HOFFMANN-LA ROCHE INC. (US) | 1980-05-13 | — | — | US | disclosed |