Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 7/20 | 0.80 |
| ▸ | RAB9A | P51151 | 7/20 | 0.80 |
| ▸ | ATM | Q13315 | 1/20 | 0.72 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.68 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.60 |
| ▸ | MEN1 | O00255 | 2/20 | 0.60 |
| ▸ | PKM | P14618 | 2/20 | 0.60 |
| ▸ | MAPT | P10636 | 1/20 | 0.60 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL7177042 | 1.00 | NPC1 (0.80) | NPC1RAB9AATMALDH1A1KMT2A | |
| SCHEMBL17065565 | 0.94 | NPC1 (0.89) | NPC1RAB9AATMALDH1A1KMT2A | |
| SCHEMBL2176413 | 0.94 | NPC1 (0.89) | NPC1RAB9AATMALDH1A1KMT2A | |
| SCHEMBL8555112 | 0.84 | NPC1 (0.72) | NPC1RAB9AATMALDH1A1KMT2A | |
| SCHEMBL16604283 | 0.83 | NPC1 (0.76) | NPC1RAB9AATMALDH1A1KMT2A | |
| SCHEMBL8341109 | 0.83 | RAB9A (0.72) | NPC1RAB9AATMALDH1A1KMT2A | |
| SCHEMBL14082224 | 0.81 | NPC1 (0.72) | NPC1RAB9AATMALDH1A1KMT2A | |
| SCHEMBL17675306 | 0.81 | NPC1 (0.72) | NPC1RAB9AATMALDH1A1KMT2A | |
| SCHEMBL2862565 | 0.81 | NPC1 (0.68) | NPC1RAB9AATMALDH1A1KMT2A | |
| SCHEMBL7179355 | 0.80 | RAB9A (0.77) | NPC1RAB9AALDH1A1KMT2ASMN1; SMN2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0906321-A1 | NOVEL TRANSITION METAL COMPLEXES AND METHOD FOR PREPARING THEM | BOREALIS A/S (DK) | 1999-04-07 | — | — | EP | disclosed |
| WO-1997045434-A1 | NOVEL TRANSITION METAL COMPLEXES AND METHOD FOR PREPARING THEM | BOREALIS A/S (DK) | 1997-12-04 | — | — | WO | disclosed |