Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.68 |
| ▸ | RAB9A | P51151 | 2/20 | 0.68 |
| ▸ | MAPT | P10636 | 5/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.63 |
| ▸ | THRB | P10828 | 2/20 | 0.63 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.63 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | TOP1 | P11387 | 1/20 | 0.56 |
| ▸ | BCHE | P06276 | 1/20 | 0.54 |
| ▸ | ACHE | P22303 | 1/20 | 0.54 |
| ▸ | CASP3 | P42574 | 1/20 | 0.52 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.52 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.52 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.52 |
| ▸ | IDO1 | P14902 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 4/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.51 |
| ▸ | GUSB | P08236 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL20557641 | 1.00 | NPC1 (0.68) | NPC1RAB9AMAPTALDH1A1THRB | |
| SCHEMBL9164886 | 0.83 | ESR1 (0.55) | NPC1RAB9AMAPTALDH1A1THRB | |
| SCHEMBL15668561 | 0.83 | RAB9A (0.58) | NPC1RAB9AMAPTALDH1A1THRB | |
| SCHEMBL9595911 | 0.83 | RAB9A (0.65) | NPC1RAB9AMAPTALDH1A1CYP1A2 | |
| SCHEMBL12655925 | 0.82 | NPC1 (0.56) | NPC1RAB9AMAPTALDH1A1THRB | |
| SCHEMBL17174154 | 0.81 | NPC1 (0.55) | NPC1RAB9AMAPTALDH1A1THRB | |
| SCHEMBL1463396 | 0.81 | NPC1 (1.00) | NPC1RAB9AMAPTALDH1A1THRB | |
| SCHEMBL3207284 | 0.80 | ELANE (0.58) | NPC1RAB9AMAPTALDH1A1THRB | |
| SCHEMBL17449881 | 0.80 | RAB9A (0.62) | NPC1RAB9AMAPTALDH1A1CYP1A2 | |
| SCHEMBL17146641 | 0.79 | PDE4D (0.53) | NPC1RAB9AMAPTALDH1A1THRB |
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-116283668-A | Diaryl ureas as CB1 allosteric modulators | 研究三角协会 | 2023-06-23 | — | — | CN | disclosed |