Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.50 |
| ▸ | HTR1B | P28222 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HTR1D | P28221 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.39 |
| ▸ | HRH1 | P35367 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | LTA4H | P09960 | 1/20 | 0.36 |
| ▸ | CDK4 | P11802 | 2/20 | 0.36 |
| ▸ | CCND1 | P24385 | 2/20 | 0.36 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL12377073 | 0.86 | AR (0.42) | KDM4EHTR1BHPGDSMN1; SMN2RAB9A | |
| SCHEMBL13091453 | 0.78 | KDM4E (0.59) | KDM4EHTR1BHPGDSMN1; SMN2TP53 | |
| SCHEMBL10475475 | 0.74 | SLC6A2 (0.43) | KDM4EHPGDALDH1A1NFE2L2SLC6A4 | |
| SCHEMBL11192818 | 0.73 | NFE2L2 (0.58) | KDM4EHTR1BHPGDSMN1; SMN2TP53 | |
| SCHEMBL11192822 | 0.73 | NFE2L2 (0.58) | KDM4EHTR1BHPGDSMN1; SMN2TP53 | |
| SCHEMBL8986209 | 0.73 | APP (0.47) | TAAR1LTA4H | |
| SCHEMBL10362247 | 0.72 | GAA (0.46) | SMN1; SMN2PTGER3ALDH1A1HTTSLC6A4 | |
| SCHEMBL8986180 | 0.72 | TLR4 (0.43) | KDM4ESMN1; SMN2RAB9AALDH1A1NFE2L2 | |
| SCHEMBL31050988 | 0.71 | KDM4E (0.95) | KDM4EHTR1BHPGDSMN1; SMN2TP53 | |
| SCHEMBL8834938 | 0.71 | KDM4E (0.95) | KDM4EHTR1BHPGDSMN1; SMN2TP53 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8188216-B2 | Combinatorial synthesis of libraries of macrocyclic compounds useful in drug discovery | TRANZYME PHARMA INC. (CA) | 2012-05-29 | — | — | US | disclosed |
| US-7169899-B1 | Cyclic lactams comprising three amino acids and a tether chain to control the overall shape of the macromolecule; beta-turn mimetics to explore conformationally restricted structures; proteolytic enzyme resistance (nonhydrolyzing); cell penetration; anticoagulants; anticarcinogenic agents | TRANZYME PHARMA INC. (CA) | 2007-01-30 | — | — | US | disclosed |