Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | IDH1 | O75874 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 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 | |
|---|---|---|---|---|
| SCHEMBL8093981 | 0.95 | TAAR1 (0.46) | LTA4HTAAR1IDO1ESR1ESR2 | |
| SCHEMBL29675199 | 0.91 | CALM1 (0.50) | LTA4HIDH1CALM1LMNAESR1 | |
| SCHEMBL4455072 | 0.91 | CALM1 (0.50) | LTA4HIDH1CALM1LMNAESR1 | |
| SCHEMBL8085716 | 0.87 | CALM1 (0.55) | LTA4HMEN1KMT2ANPC1RAB9A | |
| SCHEMBL8087746 | 0.85 | BCL2 (0.45) | LTA4HCYP3A4CYP2D6TSHRCYP2C19 | |
| SCHEMBL2938820 | 0.85 | CALM1 (0.57) | LTA4HTSHRMEN1KMT2ANPC1 | |
| SCHEMBL30674456 | 0.85 | CALM1 (0.57) | LTA4HTSHRMEN1KMT2ANPC1 | |
| SCHEMBL8993034 | 0.85 | TAAR1 (0.41) | TAAR1IDO1ESR1ESR2 | |
| SCHEMBL8992935 | 0.85 | TAAR1 (0.41) | LTA4HNPC1RAB9ATAAR1IDO1 | |
| SCHEMBL3301748 | 0.83 | CYP3A4 (0.53) | CYP3A4CYP2D6TSHRCYP2C19NPC1 |
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 |