Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | SCN4A | P35499 | 2/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | ACHE | P22303 | 2/20 | 0.54 |
| ▸ | BCHE | P06276 | 1/20 | 0.54 |
| ▸ | BACE1 | P56817 | 1/20 | 0.54 |
| ▸ | CCR3 | P51677 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.52 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.51 |
| ▸ | ABL1 | P00519 | 1/20 | 0.51 |
| ▸ | RIN1 | Q13671 | 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 | |
|---|---|---|---|---|
| SCHEMBL26332190 | 0.89 | MEN1 (0.58) | S1PR5ALDH1A1SCN4AMEN1TSHR | |
| SCHEMBL13270667 | 0.86 | SCN4A (0.53) | S1PR5ALDH1A1SCN4AMEN1TSHR | |
| SCHEMBL250506 | 0.85 | S1PR5 (0.77) | S1PR5ALDH1A1SCN4AMEN1TSHR | |
| SCHEMBL27441592 | 0.85 | S1PR5 (0.64) | S1PR5ALDH1A1SCN4AMEN1TSHR | |
| SCHEMBL16301219 | 0.85 | S1PR5 (0.77) | S1PR5ALDH1A1SCN4AMEN1TSHR | |
| SCHEMBL9037650 | 0.85 | S1PR5 (0.77) | S1PR5ALDH1A1SCN4AMEN1TSHR | |
| Hydrochloric Acid SCHEMBL892739 | 0.83 | S1PR5 (0.75) | S1PR5ALDH1A1SCN4AMEN1TSHR | |
| SCHEMBL3440339 | 0.83 | S1PR5 (0.63) | S1PR5ALDH1A1SCN4AMEN1TSHR | |
| SCHEMBL29032382 | 0.83 | S1PR5 (0.63) | S1PR5ALDH1A1SCN4AMEN1TSHR | |
| Hydrochloric Acid SCHEMBL892740 | 0.83 | S1PR5 (0.75) | S1PR5ALDH1A1SCN4AMEN1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-1140085-B1 | AZABICYCLOALKANES AS CCR5 MODULATORS | PHIVCO UK LTD (GB) | 2011-04-13 | — | — | EP | disclosed |