Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH2 | P25021 | 8/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | GLA | P06280 | 1/20 | 0.53 |
| ▸ | ATP4A | P20648 | 1/20 | 0.53 |
| ▸ | APEX1 | P27695 | 1/20 | 0.53 |
| ▸ | PDE4A | P27815 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.53 |
| ▸ | ATP4B | P51164 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | SLC47A2 | Q86VL8 | 1/20 | 0.53 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.53 |
| ▸ | SLC47A1 | Q96FL8 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL11067081 | 1.00 | HRH2 (0.53) | HRH2CYP3A4CYP2D6LMNATSHR | |
| Etintidine SCHEMBL9642425 | 0.89 | HRH2 (0.54) | HRH2CYP3A4CYP2D6LMNATSHR | |
| Etintidine SCHEMBL9642502 | 0.89 | HRH2 (0.54) | HRH2CYP3A4CYP2D6LMNATSHR | |
| SCHEMBL11001853 | 0.87 | HRH2 (0.57) | HRH2CYP3A4CYP2D6LMNATSHR | |
| SCHEMBL9279930 | 0.87 | HRH2 (0.57) | HRH2CYP3A4CYP2D6LMNATSHR | |
| SCHEMBL11001852 | 0.87 | HRH2 (0.57) | HRH2CYP3A4CYP2D6LMNATSHR | |
| SCHEMBL11084201 | 0.87 | HRH2 (0.57) | HRH2CYP3A4CYP2D6LMNATSHR | |
| SCHEMBL11364851 | 0.85 | HRH2 (0.55) | HRH2CYP3A4CYP2D6LMNATSHR | |
| SCHEMBL11079184 | 0.85 | HRH2 (0.55) | HRH2CYP3A4CYP2D6LMNATSHR | |
| SCHEMBL11361141 | 0.85 | HRH2 (0.55) | HRH2CYP3A4CYP2D6LMNATSHR |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE31588-E | Imidazolylmethylthioethyl alkynyl guanidines | BRISTOL-MYERS COMPANY (US) | 1984-05-22 | — | — | US | claimed |
| US-4112234-A | ANTIULCER | BRISTOL-MYERS COMPANY (US) | 1978-09-05 | — | — | US | claimed |
| US-RE31588-E | Imidazolylmethylthioethyl alkynyl guanidines | BRISTOL-MYERS COMPANY (US) | 1984-05-22 | — | — | US | disclosed |
| US-4158013-A | N-Cyano-N'-alkynyl-N\"-2-mercaptoethylguanidines | BRISTOL-MYERS COMPANY (US) | 1979-06-12 | — | — | US | disclosed |
| US-4157340-A | N,N'-[Bis(N-cyanoguanyl)]cystamine derivatives | BRISTOL-MEYERS COMPANY (US) | 1979-06-05 | — | — | US | disclosed |
| US-4157347-A | ANTI-ULCER AGENT INTERMEDIATES | BRISTOL-MYERS COMPANY (US) | 1979-06-05 | — | — | US | disclosed |
| US-4112234-A | ANTIULCER | BRISTOL-MYERS COMPANY (US) | 1978-09-05 | — | — | US | disclosed |