Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | JAK2 | O60674 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | PTK2B | Q14289 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | MIF | P14174 | 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 | |
|---|---|---|---|---|
| SCHEMBL30631633 | 0.89 | CYP3A4 (0.44) | CYP3A4ALDH1A1HPGDHTTTDP1 | |
| SCHEMBL11756186 | 0.89 | CYP3A4 (0.44) | CYP3A4ALDH1A1HPGDHTTTDP1 | |
| SCHEMBL8572223 | 0.88 | CYP3A4 (0.45) | CYP3A4ALDH1A1HPGDSMN1; SMN2HTT | |
| SCHEMBL5441835 | 0.86 | HTR7 (0.54) | CYP3A4ALDH1A1SMN1; SMN2KDM4EHTR7 | |
| SCHEMBL11652899 | 0.86 | CYP11B1 (0.42) | CYP3A4NPC1RAB9A | |
| SCHEMBL28042659 | 0.85 | LMNA (0.50) | CYP3A4ALDH1A1MAPTLMNAJAK2 | |
| SCHEMBL103763 | 0.85 | HTT (0.50) | CYP3A4ALDH1A1HPGDSMN1; SMN2HTT | |
| SCHEMBL28182396 | 0.85 | LMNA (0.50) | CYP3A4ALDH1A1MAPTLMNAJAK2 | |
| SCHEMBL1021154 | 0.85 | CYP3A4 (0.47) | CYP3A4ALDH1A1HPGDHTTTDP1 | |
| SCHEMBL30075523 | 0.85 | CYP3A4 (0.47) | CYP3A4ALDH1A1HPGDHTTTDP1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-110366449-B | Catalyst for hydrosilylation, hydrogenation, and hydrosilane reduction | 国立大学法人九州大学 | 2022-10-21 | — | — | CN | disclosed |
| EP-0270906-B1 | DIISOCYANATES AND DIISOCYANATE MIXTURES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN THE PREPARATION OF POLYURETHANE PLASTICS | BAYER AG (DE) | 1990-02-21 | — | — | EP | disclosed |
| US-4888125-A | Diisocyanates, a process for their production and their use in the production of polyurethane plastics | BAYER AKTIENGESELLSCHAFT (DE) | 1989-12-19 | — | — | US | disclosed |