Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CCR2 | P41597 | 4/20 | 0.36 |
| ▸ | MAOA | P21397 | 2/20 | 0.36 |
| ▸ | MAOB | P27338 | 2/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | CLTC | Q00610 | 1/20 | 0.33 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.33 |
| ▸ | NAMPT | P43490 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Tetrabuthylammonium SCHEMBL8870078 | 0.87 | TSHR (0.40) | TSHRCA2CA1CA9CCR2 | |
| Tetrabuthylammonium SCHEMBL1718182 | 0.82 | DNM1 (0.44) | CA2CA1CA9HTTSLC22A1 | |
| Tetrabuthylammonium SCHEMBL9450297 | 0.81 | DNM1 (0.42) | CA2CA1CA9HTTSLC22A1 | |
| Tetrabuthylammonium SCHEMBL8871384 | 0.80 | TSHR (0.46) | TSHRMAOAMAOBCYP19A1LMNA | |
| Tetrabuthylammonium SCHEMBL9062845 | 0.80 | LMNA (0.46) | TSHRCA2CA1CA9CYP19A1 | |
| Tetrabuthylammonium SCHEMBL8870110 | 0.78 | KCNH2 (0.32) | TSHRLMNACYP2D6CYP2C9CYP2C19 | |
| Phenylmethanesulfonic Acid SCHEMBL6913609 | 0.78 | DNM1 (0.50) | TSHRLMNACYP2D6CYP2C9CYP2C19 | |
| Tetrabuthylammonium SCHEMBL31594695 | 0.78 | CYP1A2 (0.44) | CA2CA1LMNA | |
| Tetrabuthylammonium SCHEMBL6739956 | 0.78 | CYP1A2 (0.44) | CA2CA1LMNA | |
| Tetrabuthylammonium SCHEMBL8765979 | 0.76 | TSHR (0.38) | TSHRCA2CA1CA9LMNA |
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-5610144-A | CHOLECYSTOKININ OR GASTRIN ANTAGONISTS; NERVOUS SYSTEM AND GASTROINTESTINAL DISORDERS | RHONE-POULENC RORER S.A. (FR) | 1997-03-11 | — | — | US | disclosed |
| US-5563136-A | ADMINISTERING FOR GASTROINTESTINAL OR NERVOUS SYSTEM DISORDERS CONNECTED WITH CHOLECYSTOKININ AND GASTRIN | RHONE-POULENC RORER S.A. (FR) | 1996-10-08 | — | — | US | disclosed |
| US-5382590-A | Gastrointestinal disorders and nervous system disorders | RHONE-POULENC RORER S.A. (FR) | 1995-01-17 | — | — | US | disclosed |