Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 11/20 | 0.64 |
| ▸ | RAB9A | P51151 | 11/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 9/20 | 0.64 |
| ▸ | TP53 | P04637 | 3/20 | 0.64 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.64 |
| ▸ | LMNA | P02545 | 2/20 | 0.64 |
| ▸ | HTT | P42858 | 2/20 | 0.64 |
| ▸ | MEN1 | O00255 | 1/20 | 0.64 |
| ▸ | GAA | P10253 | 1/20 | 0.64 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.60 |
| ▸ | TSHR | P16473 | 1/20 | 0.59 |
| ▸ | POLB | P06746 | 1/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | PKM | P14618 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL5007637 | 0.79 | NPC1 (1.00) | NPC1RAB9ASMN1; SMN2TP53KMT2A | |
| SCHEMBL2248644 | 0.79 | NPC1 (1.00) | NPC1RAB9ASMN1; SMN2TP53KMT2A | |
| SCHEMBL20103483 | 0.77 | ALOX5 (0.53) | NPC1RAB9ASMN1; SMN2TP53KMT2A | |
| SCHEMBL20103473 | 0.77 | ALOX5 (0.67) | NPC1RAB9ASMN1; SMN2TP53KMT2A | |
| SCHEMBL2246129 | 0.76 | NPC1 (1.00) | NPC1RAB9ASMN1; SMN2TP53KMT2A | |
| SCHEMBL15552040 | 0.76 | NPC1 (0.72) | NPC1RAB9ASMN1; SMN2TP53KMT2A | |
| SCHEMBL15063375 | 0.76 | NPC1 (1.00) | NPC1RAB9ASMN1; SMN2TP53KMT2A | |
| SCHEMBL2241896 | 0.75 | RAB9A (1.00) | NPC1RAB9ASMN1; SMN2TP53KMT2A | |
| SCHEMBL9719844 | 0.75 | PDE10A (0.60) | CYP1A2 | |
| SCHEMBL2245506 | 0.73 | RAB9A (1.00) | NPC1RAB9ASMN1; SMN2TP53KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018077898-A1 | N,N'-DIARYLUREA, N,N'-DIARYLTHIOUREA AND N,N'-DIARYLGUANIDINO COMPOUNDS FOR USE IN TREATMENT AND PREVENTION OF INFLAMMATORY DISEASE | UNIVERSITÄT INNSBRUCK (AT) | 2018-05-03 | — | — | WO | disclosed |
| EP-3315495-A1 | N,N' -DIARYLUREA, N,N' -DIARYLTHIOUREA AND N,N' -DIARYLGUANIDINO COMPOUNDS FOR USE IN TREATMENT AND PREVENTION OF INFLAMMATORY DISEASE | Universität Innsbruck (AT) | 2018-05-02 | — | — | EP | disclosed |