Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 5/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7915319 | 0.82 | ALDH1A1 (0.38) | TYMSALDH1A1BCHEACHECES1 | |
| SCHEMBL309868 | 0.81 | MAOA (0.42) | ALDH1A1BCHEACHECES1MEN1 | |
| Benzoquinone SCHEMBL27576817 | 0.80 | MAOA (0.41) | ALDH1A1BCHEACHECES1MEN1 | |
| SCHEMBL9239563 | 0.78 | TDP1 (0.56) | ALDH1A1AURKAMEN1KMT2ANPC1 | |
| SCHEMBL1966364 | 0.77 | MAOA (0.41) | TYMSALDH1A1BCHEACHECES1 | |
| SCHEMBL2700202 | 0.72 | HPRT1 (0.51) | ALDH1A1CES1MEN1KMT2APTPN1 | |
| SCHEMBL499148 | 0.70 | ALDH1A1 (0.41) | TYMSALDH1A1BCHEACHECES1 | |
| SCHEMBL51777 | 0.69 | ALDH1A1 (0.54) | ALDH1A1CES1MEN1KMT2APTPN1 | |
| SCHEMBL28569068 | 0.69 | ALDH1A1 (0.54) | ALDH1A1CES1MEN1KMT2APTPN1 | |
| SCHEMBL2380017 | 0.69 | ALDH1A1 (0.54) | ALDH1A1CES1MEN1KMT2APTPN1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6846956-B2 | Triarylmethane dyes | BASF AKTIENGESELLSCHAFT (DE) | 2005-01-25 | — | — | US | disclosed |
| US-20030181740-A1 | Triarylmethane dyes | BASF AKTIENGESELLSCHAFT (DE) | 2003-09-25 | — | — | US | disclosed |
| US-4340540-A | NITROGEN OXIDES OXIDATION CATALYSTS | BAYER AKTIENGESELLSCHAFT (DE) | 1982-07-20 | — | — | US | disclosed |
| US-4330476-A | CONDENSATION OF AROMATIC ALDEHYDE WITH AROMATIC AMINE FOLLOWED BY OXIDATION | BAYER AKTIENGESELLSCHAFT (DE) | 1982-05-18 | — | — | US | disclosed |
| US-4318859-A | CONTAINING CARBONIUM GROUPS BY CATALYTIC OXIDATION | BAYER AKTIENGESELLSCHAFT (DE) | 1982-03-09 | — | — | US | disclosed |