Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | LTB4R2 | Q9NPC1 | 2/20 | 0.37 |
| ▸ | BCL2A1 | Q16548 | 1/20 | 0.37 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.36 |
| ▸ | S100A4 | P26447 | 1/20 | 0.36 |
| ▸ | HTR7 | P34969 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | GMNN | O75496 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9872306 | 0.81 | ALDH1A1 (0.66) | NPC1RAB9AALDH1A1POLBHTT | |
| SCHEMBL8245878 | 0.81 | NPC1 (0.64) | NPC1RAB9AALDH1A1POLBHTT | |
| SCHEMBL7813644 | 0.78 | MEN1 (0.50) | NPC1RAB9AALDH1A1POLBHTT | |
| SCHEMBL8242543 | 0.72 | HTT (0.42) | NPC1RAB9AALDH1A1POLBHTT | |
| SCHEMBL318467 | 0.72 | NPC1 (0.77) | NPC1RAB9AALDH1A1HTTKMT2A | |
| SCHEMBL5319072 | 0.72 | ESR1 (0.43) | NPC1RAB9AALDH1A1POLBHTT | |
| SCHEMBL18939227 | 0.72 | LMNA (0.46) | NPC1RAB9AALDH1A1KMT2ANPSR1 | |
| SCHEMBL10698132 | 0.70 | POLB (0.39) | NPC1RAB9AALDH1A1POLBHTT | |
| SCHEMBL10698137 | 0.70 | SMN1; SMN2 (0.38) | NPC1RAB9AALDH1A1POLBHTT | |
| SCHEMBL5031160 | 0.70 | ALDH1A1 (0.42) | NPC1RAB9AALDH1A1POLBHTT |
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 |
|---|---|---|---|---|---|---|---|
| US-5026853-A | Sleep and cardiovascular disorders | JANSSEN PHARMACEUTICA N.V. (BE) | 1991-06-25 | — | — | US | disclosed |
| US-4968684-A | N-ARYL-PIPERAZINEALKANAMIDE DERIVATIVES | JANSSEN PHARMACEUTICA N.V. (BE) | 1990-11-06 | — | — | US | disclosed |
| US-4880808-A | SEDATIVES | JANSSEN PHARMACEUTICA N.V. (BE) | 1989-11-14 | — | — | US | disclosed |