Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | BLM | P54132 | 2/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | USP2 | O75604 | 1/20 | 0.51 |
| ▸ | EGFR | P00533 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | FYN | P06241 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.51 |
| ▸ | APEX1 | P27695 | 1/20 | 0.51 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.51 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.51 |
| ▸ | MTOR | P42345 | 1/20 | 0.51 |
| ▸ | RECQL | P46063 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL11600370 | 0.79 | ALDH1A1 (0.56) | ALDH1A1KMT2ABLMHPGDMEN1 | |
| SCHEMBL16413549 | 0.78 | ALDH1A1 (0.54) | ALDH1A1KMT2ABLMHPGDMEN1 | |
| Hydrochloric Acid SCHEMBL11603001 | 0.77 | ALDH1A1 (0.55) | ALDH1A1KMT2ABLMHPGDMEN1 | |
| SCHEMBL8252252 | 0.76 | CA12 (0.46) | ALDH1A1KMT2AHPGDMEN1KDM4E | |
| SCHEMBL30630697 | 0.76 | CA12 (0.46) | ALDH1A1KMT2AHPGDMEN1KDM4E | |
| SCHEMBL11706002 | 0.75 | SLC7A5 (0.48) | ALDH1A1KMT2AHPGDMEN1KDM4E | |
| SCHEMBL11602613 | 0.74 | MAPT (0.51) | ALDH1A1KMT2ABLMHPGDMEN1 | |
| SCHEMBL11602317 | 0.74 | BLM (0.51) | ALDH1A1KMT2ABLMHPGDMEN1 | |
| Hydrochloric Acid SCHEMBL11602771 | 0.74 | PKM (0.47) | ALDH1A1KMT2ABLMHPGDMEN1 | |
| SCHEMBL8218368 | 0.74 | MIF (0.53) | ALDH1A1KMT2AHPGDMEN1KDM4E |
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-4034100-A | Antihypertensive agents | MERCK & CO., INC. (US) | 1977-07-05 | — | — | US | claimed |
| US-4069333-A | 2-HYDRAZINO-3-PHENYLPROPIONIC ACID DECARBOXYLASE INHIBITORS, BENZOXAZOLE ANALINES | MERCK & CO., INC. (US) | 1978-01-17 | — | — | US | disclosed |
| US-4034100-A | Antihypertensive agents | MERCK & CO., INC. (US) | 1977-07-05 | — | — | US | disclosed |