Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.37 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.37 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.37 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 3/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.34 |
| ▸ | LTB4R2 | Q9NPC1 | 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 | |
|---|---|---|---|---|
| SCHEMBL11670101 | 0.90 | LTB4R (0.39) | MAOBCNR2ALDH1A1LTB4RLTB4R2 | |
| SCHEMBL11671052 | 0.89 | TP53 (0.40) | FFAR1ALDH1A1LTB4RLTB4R2 | |
| SCHEMBL11670787 | 0.89 | MTNR1B (0.41) | MAOBFFAR1ALDH1A1 | |
| SCHEMBL11670901 | 0.88 | MAOB (0.39) | S1PR1MAOBADRB3ADRB1ALDH1A1 | |
| SCHEMBL11671280 | 0.88 | S1PR1 (0.42) | S1PR1ALDH1A1 | |
| SCHEMBL11672996 | 0.86 | S1PR1 (0.39) | S1PR1FFAR1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL11698854 | 0.86 | S1PR1 (0.40) | S1PR1CYP1A2CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL11670216 | 0.85 | BCL2A1 (0.40) | S1PR1MAOBADRB2ADRB3ADRB1 | |
| SCHEMBL11672314 | 0.84 | S1PR1 (0.41) | S1PR1ALDH1A1 | |
| SCHEMBL11671324 | 0.84 | BCL2A1 (0.46) | S1PR1ALDH1A1 |
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 |