Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 5/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 2/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| 4-Nitroaniline SCHEMBL27694794 | 0.83 | ALDH1A1 (0.60) | CYP1A2CYP2C19MAPTALDH1A1LMNA | |
| Nitrobenzene SCHEMBL27321664 | 0.83 | ALDH1A1 (0.57) | CYP1A2CYP2C19MAPTALDH1A1HTT | |
| Hydrochlorthiazide SCHEMBL27382645 | 0.81 | ALDH1A1 (0.65) | MAPTALDH1A1HTTLMNANPC1 | |
| Nitrobenzene SCHEMBL29287493 | 0.81 | ALDH1A1 (0.55) | CYP1A2CYP2C19MAPTALDH1A1HTT | |
| Hydrochlorthiazide SCHEMBL27557458 | 0.81 | MAPK1 (0.51) | MAPTALDH1A1HTTLMNAPOLB | |
| Paranitrobenzyl Alcohol SCHEMBL28146144 | 0.80 | POLB (0.49) | CYP2C19MAPTALDH1A1NPC1RAB9A | |
| SCHEMBL29242 | 0.78 | CYP1A2 (0.67) | CYP1A2CYP2C9CYP2C19MAPTALDH1A1 | |
| SCHEMBL2724772 | 0.78 | CYP1A2 (0.67) | CYP1A2CYP2C9CYP2C19MAPTALDH1A1 | |
| SCHEMBL11320631 | 0.78 | CYP1A2 (0.67) | CYP1A2CYP2C9CYP2C19MAPTALDH1A1 | |
| SCHEMBL28180410 | 0.78 | CYP1A2 (0.67) | CYP1A2CYP2C9CYP2C19MAPTALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1138458-A | Treatment and prevention of prostatic cancer | LILLY CO ELI (US) | 1996-12-25 | — | — | CN | disclosed |