Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 6/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9655439 | 1.00 | ALDH1A1 (0.43) | ALDH1A1NPC1TP53MAPTACHE | |
| SCHEMBL9655492 | 0.84 | HTT (0.38) | ALDH1A1NPC1MAPTSMN1; SMN2MEN1 | |
| SCHEMBL9655498 | 0.84 | HTT (0.38) | ALDH1A1NPC1MAPTSMN1; SMN2MEN1 | |
| SCHEMBL9655205 | 0.79 | ACHE (0.43) | ALDH1A1NPC1MAPTACHESMN1; SMN2 | |
| SCHEMBL9655211 | 0.79 | ACHE (0.43) | ALDH1A1NPC1MAPTACHESMN1; SMN2 | |
| SCHEMBL9655165 | 0.72 | SCN5A (0.34) | ALDH1A1NPC1MAPTSMN1; SMN2MEN1 | |
| SCHEMBL9655167 | 0.72 | SCN5A (0.34) | ALDH1A1NPC1MAPTSMN1; SMN2MEN1 | |
| SCHEMBL9655222 | 0.72 | CDC25B (0.35) | MEN1KMT2AGAACYP1A2CYP3A4 | |
| SCHEMBL9655220 | 0.72 | CDC25B (0.35) | MEN1KMT2AGAACYP1A2CYP3A4 | |
| SCHEMBL9654567 | 0.72 | TP53 (0.44) | ALDH1A1NPC1TP53MAPTSMN1; SMN2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5099016-A | Mitomycin analogs containing 7-alkoxy groups and disulfides as antibiotics | BRISTOL-MYERS COMPANY (US) | 1992-03-24 | — | — | US | disclosed |
| US-5097036-A | Mitomycin analogs; antibiotics antitumor agents | BRISTOL-MYERS COMPANY (US) | 1992-03-17 | — | — | US | disclosed |
| US-4927943-A | ANTITUMOR AGENTS | BRISTOL-MYERS COMPANY (US) | 1990-05-22 | — | — | US | disclosed |
| US-4814445-A | ETHERIFICATION, ANTIBIOTICS | BRISTOL-MYERS COMPANY (US) | 1989-03-21 | — | — | US | disclosed |