Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | GMNN | O75496 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | CTSD | P07339 | 1/20 | 0.36 |
| ▸ | SRC | P12931 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL18051140 | 0.79 | ALDH1A1 (0.41) | NPSR1CYP2D6PKMKMT2AALDH1A1 | |
| SCHEMBL19183147 | 0.75 | SRC (0.47) | NPSR1CYP2D6KMT2ABCAT2ALDH1A1 | |
| SCHEMBL7088315 | 0.74 | LMNA (0.34) | KMT2AALDH1A1LMNA | |
| SCHEMBL8661391 | 0.71 | ALDH1A1 (0.43) | NPSR1SMN1; SMN2CYP1A2CYP2D6PKM | |
| SCHEMBL10520492 | 0.70 | HCAR2 (0.50) | NPSR1SMN1; SMN2CYP1A2CYP2D6PKM | |
| SCHEMBL5931089 | 0.70 | L3MBTL1 (0.39) | NPSR1SMN1; SMN2CYP1A2CYP2D6PKM | |
| SCHEMBL27820414 | 0.70 | HCAR2 (0.58) | NPSR1SMN1; SMN2CYP1A2CYP2D6PKM | |
| SCHEMBL6478149 | 0.70 | HCAR2 (0.58) | NPSR1SMN1; SMN2CYP1A2CYP2D6PKM | |
| SCHEMBL264866 | 0.70 | HCAR2 (0.58) | NPSR1SMN1; SMN2CYP1A2CYP2D6PKM | |
| SCHEMBL5956415 | 0.70 | HCAR2 (0.58) | NPSR1SMN1; SMN2CYP1A2CYP2D6PKM |
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-3003314-A2 | NOVEL COMPOUNDS AND USES THEREOF | Kala Pharmaceuticals, Inc. (US) | 2016-04-13 | — | — | EP | disclosed |
| WO-2014197313-A2 | NOVEL COMPOUNDS AND USES THEREOF | KALA PHARMACEUTICALS, INC. (US) | 2014-12-11 | — | — | WO | disclosed |