Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | MGLL | Q99685 | 1/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.41 |
| ▸ | BCL2 | P10415 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3284213 | 0.91 | TP53 (0.55) | TP53SIGMAR1CYP1A2CYP2A6MGLL | |
| SCHEMBL8099874 | 0.86 | TP53 (0.44) | TP53SIGMAR1CYP1A2CYP2A6ALDH1A1 | |
| SCHEMBL8096568 | 0.86 | DAO (0.47) | — | |
| SCHEMBL7556584 | 0.83 | SIGMAR1 (0.44) | SIGMAR1LMNAMAPTMAPK1SMN1; SMN2 | |
| SCHEMBL6548117 | 0.82 | HTR2A (0.56) | TP53LMNAL3MBTL1BCL2HTR2A | |
| SCHEMBL29387515 | 0.82 | TP53 (0.52) | TP53SIGMAR1CYP1A2CYP2A6MGLL | |
| SCHEMBL5250820 | 0.82 | TP53 (0.52) | TP53SIGMAR1CYP1A2CYP2A6MGLL | |
| SCHEMBL8096061 | 0.81 | LTA4H (0.46) | NPC1RAB9ASMN1; SMN2L3MBTL1SLC6A2 | |
| SCHEMBL11205678 | 0.80 | HTR2A (0.54) | TP53GABRA1GABRB2LMNAL3MBTL1 | |
| SCHEMBL7929099 | 0.80 | TP53 (0.59) | TP53CYP1A2CYP2A6MGLLNPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0708077-B1 | Diamino compounds and methods for preparing them | CHISSO CORP (JP) | 2000-12-27 | — | — | EP | disclosed |
| US-5663440-A | Diamino compounds and methods for preparing them | CHISSO CORPORATION (JP) | 1997-09-02 | — | — | US | disclosed |
| EP-0708077-A1 | Diamino compounds and methods for preparing them | CHISSO CORPORATION (JP) | 1996-04-24 | — | — | EP | disclosed |