Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | CTSB | P07858 | 1/20 | 0.33 |
| ▸ | PDE7A | Q13946 | 4/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | PDE7B | Q9NP56 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL638537 | 0.71 | ALDH1A1 (0.38) | TDP1TSHRLMNAMEN1MAPT | |
| SCHEMBL28842041 | 0.70 | ALDH1A1 (0.44) | TDP1TSHRMEN1MAPTKMT2A | |
| SCHEMBL58486 | 0.70 | TSHR (0.46) | TDP1TSHRLMNAKMT2AALDH1A1 | |
| SCHEMBL6047873 | 0.70 | PDE7A (0.33) | CTSBPDE7ALMNAALDH1A1CYP3A4 | |
| SCHEMBL6310965 | 0.70 | TSHR (0.38) | TDP1CTSBTSHRLMNAMEN1 | |
| SCHEMBL27443375 | 0.68 | ALDH1A1 (0.41) | TDP1TSHRLMNAMAPTALDH1A1 | |
| SCHEMBL6416139 | 0.67 | S100A4 (0.41) | TDP1CTSBTSHRLMNAMEN1 | |
| SCHEMBL6153011 | 0.67 | TDP1 (0.46) | TDP1CTSBTSHRMEN1MAPT | |
| SCHEMBL28769630 | 0.66 | S100A4 (0.44) | TDP1CTSBTSHRLMNAMEN1 | |
| SCHEMBL8013186 | 0.66 | NCOA1 (0.44) | TDP1CTSBTSHRLMNAMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1994012163-A1 | 2-NITROARYL AND 2-CYANOARYL COMPOUNDS AS REGULATORS OF NITRIC OXIDE SYNTHASE | ABBOTT LABORATORIES (US) | 1994-06-09 | — | — | WO | claimed |
| US-5362747-A | Promoters, inhibitors | ABBOTT LABORATORIES (US) | 1994-11-08 | — | — | US | disclosed |
| WO-1994012163-A1 | 2-NITROARYL AND 2-CYANOARYL COMPOUNDS AS REGULATORS OF NITRIC OXIDE SYNTHASE | ABBOTT LABORATORIES (US) | 1994-06-09 | — | — | WO | disclosed |