Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | HRAS | P01112 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.40 |
| ▸ | ADH1B | P00325 | 1/20 | 0.40 |
| ▸ | ADH1C | P00326 | 1/20 | 0.40 |
| ▸ | ADH1A | P07327 | 1/20 | 0.40 |
| ▸ | ADH7 | P40394 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL206646 | 0.79 | HRAS (0.65) | IDO1TDP1MEN1KMT2ATHRB | |
| SCHEMBL15103137 | 0.77 | IDO1 (0.50) | IDO1TDP1MEN1KMT2ATHRB | |
| Hydrochloric Acid SCHEMBL6967279 | 0.77 | HRAS (0.62) | IDO1TDP1MEN1KMT2ATHRB | |
| SCHEMBL2178103 | 0.77 | CYP3A4 (0.48) | IDO1TDP1MEN1KMT2ATHRB | |
| SCHEMBL10776729 | 0.77 | HRAS (0.68) | IDO1TDP1MEN1KMT2ATHRB | |
| Hydrochloric Acid SCHEMBL27547964 | 0.76 | MAPT (0.52) | IDO1TDP1MEN1KMT2ATHRB | |
| Water SCHEMBL27527749 | 0.76 | CYP3A4 (0.52) | IDO1TDP1MEN1KMT2ATHRB | |
| SCHEMBL336981 | 0.76 | CA2 (0.47) | IDO1TDP1MEN1KMT2ATHRB | |
| SCHEMBL11661655 | 0.75 | IDO1 (0.52) | IDO1TDP1MEN1KMT2ATHRB | |
| Dimethylamine SCHEMBL28814481 | 0.74 | CYP3A4 (0.50) | IDO1TDP1MEN1KMT2ATHRB |
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-4728646-A | ANTITHROMBOTICS | DR. KARL THOMAE GMBH (DE) | 1988-03-01 | — | — | US | disclosed |
| US-4690923-A | ANTITHROMBOTICS | KARL THOMAE GMBH (DE) | 1987-09-01 | — | — | US | disclosed |
| US-4518596-A | Antithrombotic use of 2-(perhydro-1,4-diazino)-pyrimido (5,4,D)-pyrimidines | DR. KARL THOMAE GMBH (DE) | 1985-05-21 | — | — | US | disclosed |