Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCL2A1 | Q16548 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.39 |
| ▸ | CLK1 | P49759 | 1/20 | 0.39 |
| ▸ | CLK2 | P49760 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.38 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | CCKAR | P32238 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11698854 | 0.93 | S1PR1 (0.40) | BCL2A1TP53THRBS1PR1NPC1 | |
| SCHEMBL11672314 | 0.91 | S1PR1 (0.41) | BCL2A1TP53S1PR1NPC1RAB9A | |
| SCHEMBL11671280 | 0.91 | S1PR1 (0.42) | S1PR1NPC1TSHRMAPTALDH1A1 | |
| SCHEMBL11670867 | 0.90 | MTNR1B (0.43) | BCL2A1NPC1MTNR1AMTNR1BRAB9A | |
| SCHEMBL11669875 | 0.90 | MTNR1B (0.43) | MTNR1AMTNR1BCCKARALDH1A1 | |
| SCHEMBL11670216 | 0.90 | BCL2A1 (0.40) | BCL2A1S1PR1NPC1RAB9APOLB | |
| SCHEMBL11670162 | 0.90 | MTNR1B (0.48) | MTNR1AMTNR1B | |
| SCHEMBL11670883 | 0.90 | GHSR (0.41) | S1PR1NPC1MAPTALDH1A1GAA | |
| SCHEMBL11672996 | 0.89 | S1PR1 (0.39) | S1PR1NPC1RAB9AMAPTGAA | |
| SCHEMBL11671067 | 0.88 | NPSR1 (0.41) | BCL2A1S1PR1NPC1RAB9ASMN1; 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 |
|---|---|---|---|---|---|---|---|
| US-4039526-A | PRINTING, POLYACRYLONITRILE, POLYESTERS, POLYAMIDES | BAYER AKTIENGESELLSCHAFT (DT) | 1977-08-02 | — | — | US | disclosed |
| US-4039539-A | 1,2,4-Triazole-azo-aniline cationic dyestuffs | BAYER AKTIENGESELLSCHAFT (DT) | 1977-08-02 | — | — | US | disclosed |