Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | DHFR | P00374 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.35 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.35 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | CA9 | Q16790 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | CNR1 | P21554 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7595974 | 0.74 | HTR7 (0.33) | ALDH1A1CYP2A6CA1CA2CA9 | |
| SCHEMBL5487945 | 0.73 | ALDH1A1 (0.56) | ALDH1A1CYP2A6PTPN1KDM4EHPGD | |
| SCHEMBL25302086 | 0.71 | ALDH1A1 (0.59) | ALDH1A1CYP2A6PTPN1KDM4ECA12 | |
| SCHEMBL29350007 | 0.71 | ALDH1A1 (0.59) | ALDH1A1CYP2A6PTPN1KDM4ECA12 | |
| SCHEMBL27953 | 0.71 | ALDH1A1 (0.59) | ALDH1A1CYP2A6PTPN1KDM4ECA12 | |
| SCHEMBL7598196 | 0.69 | GABRA1 (0.37) | CA12CA1CA2CA9HPGD | |
| Bromide SCHEMBL8588309 | 0.69 | ALDH1A1 (0.56) | ALDH1A1CYP2A6PTPN1KDM4ECA12 | |
| Hydrochloric Acid SCHEMBL4268575 | 0.69 | ALDH1A1 (0.56) | ALDH1A1CYP2A6PTPN1KDM4EHPGD | |
| Ammonia Solution, Strong SCHEMBL3156160 | 0.69 | ALDH1A1 (0.56) | ALDH1A1CYP2A6PTPN1KDM4ECA12 | |
| SCHEMBL18174178 | 0.69 | ALDH1A1 (0.56) | ALDH1A1CYP2A6PTPN1KDM4ECA12 |
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-20020052446-A1 | Composition based on monofluorometal complexes | BAYER AKTIENGESELLSCHAFT (DE) | 2002-05-02 | — | — | US | disclosed |
| US-5965678-A | Catalyst system based on monoazadiene metal complexes | BAYER AG (DE) | 1999-10-12 | — | — | US | disclosed |