Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.52 |
| ▸ | SGMS1 | Q86VZ5 | 1/20 | 0.52 |
| ▸ | SGMS2 | Q8NHU3 | 1/20 | 0.52 |
| ▸ | CBS | P35520 | 1/20 | 0.50 |
| ▸ | DAGLA | Q9Y4D2 | 2/20 | 0.47 |
| ▸ | DPP4 | P27487 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.47 |
| ▸ | FAAH | O00519 | 3/20 | 0.45 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | CASP3 | P42574 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.42 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.42 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7515142 | 1.00 | ACHE (0.52) | ACHESGMS1SGMS2CBSDAGLA | |
| SCHEMBL7515479 | 0.99 | ACHE (0.50) | ACHESGMS1SGMS2CBSDAGLA | |
| SCHEMBL7423679 | 0.95 | NPC1 (0.48) | ACHESGMS1SGMS2CBSDAGLA | |
| SCHEMBL7432620 | 0.90 | CYP1A1 (0.51) | MAPTNPC1RAB9ATDP1 | |
| SCHEMBL7431618 | 0.81 | MAPT (0.48) | MAPTCES1RAB9A | |
| SCHEMBL7435484 | 0.79 | HTT (0.47) | MAPT | |
| SCHEMBL7693503 | 0.73 | SELL (0.57) | MAPTALOX5TDP1 | |
| SCHEMBL7430315 | 0.72 | HTT (0.52) | MAPT | |
| SCHEMBL5898857 | 0.71 | MEN1 (0.47) | MAPTRAB9ATDP1 | |
| SCHEMBL30736448 | 0.70 | CYP1A1 (0.65) | MAPTRAB9A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001098250-A1 | SUBSTITUTED NITRATED CATECHOLS, THEIR USE IN THE TREATMENT OF SOME CENTRAL AND PERIPHERAL NERVOUS SYSTEM DISORDERS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | PORTELA & CA SA (PT) | 2001-12-27 | — | — | WO | disclosed |