Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCF1 | P14598 | 2/20 | 0.56 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.52 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | MC4R | P32245 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CHKA | P35790 | 1/20 | 0.44 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.42 |
| ▸ | LTA4H | P09960 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Phenethylamine SCHEMBL9266375 | 0.86 | SIGMAR1 (0.56) | LOXL2SIGMAR1POLBMC4RLMNA | |
| Benzylamine SCHEMBL28105105 | 0.81 | LOXL2 (0.56) | NCF1LOXL2SIGMAR1MC4RCA2 | |
| SCHEMBL27860790 | 0.80 | HTT (0.49) | SIGMAR1POLBMC4RLMNAHTT | |
| Benzylamine SCHEMBL27789840 | 0.80 | NCF1 (0.78) | NCF1SIGMAR1POLBPRMT6KDM4E | |
| Benzylamine SCHEMBL27627122 | 0.80 | SIGMAR1 (0.66) | NCF1SIGMAR1POLBKDM4EHTT | |
| SCHEMBL18313273 | 0.79 | MC4R (0.68) | NCF1SIGMAR1POLBMC4RLMNA | |
| N-Benzylmethylamine SCHEMBL9266368 | 0.79 | KDM4E (0.57) | NCF1SIGMAR1POLBMC4RLMNA | |
| SCHEMBL26660499 | 0.79 | ALDH1A1 (0.59) | SIGMAR1POLBMC4RLMNAKDM4E | |
| Aniline SCHEMBL28208327 | 0.79 | ADRA2C (0.48) | SIGMAR1POLBLMNAKDM4EALDH1A1 | |
| Benzylamine SCHEMBL27576789 | 0.78 | LOXL2 (0.64) | NCF1LOXL2SIGMAR1POLBLMNA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1997022588-A1 | USE OF HETARYLACETIC ACID DERIVATIVES AS LEUKOTRIENE INHIBITORS | BAYER AKTIENGESELLSCHAFT (DE) | 1997-06-26 | — | — | WO | disclosed |