Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11067256 | 1.00 | ALDH1A1 (0.36) | ALDH1A1KDM4EIDO1 | |
| SCHEMBL10718865 | 0.78 | ALDH1A1 (0.37) | ALDH1A1KDM4EIDO1 | |
| SCHEMBL3760053 | 0.78 | — | — | |
| SCHEMBL3760051 | 0.78 | — | — | |
| SCHEMBL9194509 | 0.76 | — | — | |
| SCHEMBL19287284 | 0.74 | MCL1 (0.38) | ALDH1A1KDM4EIDO1 | |
| SCHEMBL11304952 | 0.74 | ALDH1A1 (0.37) | ALDH1A1KDM4EIDO1 | |
| SCHEMBL11219200 | 0.73 | ALDH1A1 (0.36) | ALDH1A1KDM4EIDO1 | |
| SCHEMBL11100227 | 0.73 | ALDH1A1 (0.36) | ALDH1A1KDM4EIDO1 | |
| SCHEMBL9533427 | 0.73 | ALDH1A1 (0.36) | ALDH1A1KDM4EIDO1 |
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 6 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 | disclosed |
| US-4203909-A | ANTIULCER | BRISTOL-MYERS COMPANY (US) | 1980-05-20 | — | — | 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 |