Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | TSHR | P16473 | 5/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | MGMT | P16455 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30661310 | 0.81 | ALDH1A1 (0.35) | ALDH1A1TSHRMAPTPOLBHIF1A | |
| SCHEMBL18894093 | 0.79 | ALDH1A1 (0.33) | ALDH1A1MAPTPOLBHIF1AMGMT | |
| SCHEMBL20560654 | 0.78 | ALDH1A1 (0.52) | ALDH1A1TSHRMAPTPOLBMGMT | |
| SCHEMBL1340438 | 0.78 | ALDH1A1 (0.43) | ALDH1A1TSHRMAPTPOLBHIF1A | |
| SCHEMBL29860351 | 0.78 | ALDH1A1 (0.43) | ALDH1A1TSHRMAPTPOLBHIF1A | |
| SCHEMBL12473267 | 0.77 | ALDH1A1 (0.47) | ALDH1A1MAPTPOLBHIF1AMGMT | |
| SCHEMBL6836629 | 0.76 | L3MBTL1 (0.34) | ALDH1A1POLBHIF1ALMNACYP1A2 | |
| SCHEMBL30768324 | 0.75 | GRIN2D (0.43) | ALDH1A1TSHRMAPTPOLBLMNA | |
| SCHEMBL7513494 | 0.75 | ALDH1A1 (0.48) | ALDH1A1TSHRMAPTPOLBHIF1A | |
| SCHEMBL23035421 | 0.75 | ALDH1A1 (0.42) | ALDH1A1TSHRMAPTPOLBHIF1A |
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 |
|---|---|---|---|---|---|---|---|
| US-5068436-A | Hydrogenation of halonitrobenzenes without dehalogenation | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1991-11-26 | — | — | US | disclosed |