Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | F2 | P00734 | 1/20 | 0.40 |
| ▸ | F10 | P00742 | 1/20 | 0.40 |
| ▸ | PLG | P00747 | 1/20 | 0.40 |
| ▸ | F7 | P08709 | 1/20 | 0.40 |
| ▸ | F3 | P13726 | 1/20 | 0.40 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | KCNB1 | Q14721 | 3/20 | 0.38 |
| ▸ | P2RX3 | P56373 | 2/20 | 0.38 |
| ▸ | P2RX2 | Q9UBL9 | 2/20 | 0.38 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.38 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.37 |
| ▸ | HSPA9 | P38646 | 1/20 | 0.37 |
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL409512 | 0.86 | P2RX3 (0.48) | P2RX3P2RX2 | |
| SCHEMBL10187971 | 0.80 | P2RX3 (0.44) | F2F10PLGF7F3 | |
| SCHEMBL1435456 | 0.80 | MAPK1 (0.61) | MAPK1RAB9AALDH1A1NPC1SMN1; SMN2 | |
| SCHEMBL6650208 | 0.79 | NAAA (0.46) | F2F10PLGF7F3 | |
| SCHEMBL407536 | 0.77 | P2RX3 (0.50) | P2RX3P2RX2 | |
| SCHEMBL6646087 | 0.76 | GLRA3 (0.44) | MAPK1RAB9AALDH1A1THRBNPC1 | |
| SCHEMBL2913713 | 0.75 | MAPK1 (0.67) | MAPK1RAB9AALDH1A1NPC1SMN1; SMN2 | |
| SCHEMBL407659 | 0.74 | — | — | |
| SCHEMBL410232 | 0.74 | P2RX3 (0.47) | P2RX3P2RX2 | |
| SCHEMBL6171665 | 0.74 | MAPK1 (0.55) | MAPK1RAB9AALDH1A1NPC1TP53 |
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-1453789-A2 | N,N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES | Elan Pharmaceuticals, Inc. (US) | 2004-09-08 | — | — | EP | disclosed |
| WO-2003040096-A2 | N, N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES | ELAN PHARMACEUTICALS, INC. (US) | 2003-05-15 | — | — | WO | disclosed |