Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | NPC1 | O15118 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | HPGD | P15428 | 3/20 | 0.49 |
| ▸ | RAB9A | P51151 | 3/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.49 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.49 |
| ▸ | ADORA2A | P29274 | 7/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.38 |
| ▸ | RET | P07949 | 1/20 | 0.38 |
| ▸ | ROS1 | P08922 | 1/20 | 0.38 |
| ▸ | KIT | P10721 | 1/20 | 0.38 |
| ▸ | PIM1 | P11309 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7708864 | 0.88 | TDO2 (0.41) | KDM4ENPC1ALDH1A1HPGDRAB9A | |
| SCHEMBL7709236 | 0.87 | ALDH1A1 (0.48) | KDM4ENPC1ALDH1A1HPGDRAB9A | |
| SCHEMBL7709121 | 0.87 | CSNK1D (0.42) | KDM4ENPC1ALDH1A1HPGDRAB9A | |
| SCHEMBL7709024 | 0.86 | NPC1 (0.41) | KDM4ENPC1ALDH1A1HPGDRAB9A | |
| SCHEMBL7711697 | 0.86 | ADORA2A (0.35) | KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2 | |
| SCHEMBL7708391 | 0.84 | ADORA2A (0.45) | KDM4ENPC1ALDH1A1HPGDRAB9A | |
| SCHEMBL7709161 | 0.82 | ADORA2A (0.53) | KDM4ENPC1ALDH1A1HPGDRAB9A | |
| SCHEMBL7709135 | 0.82 | ADORA2A (0.58) | HPGDSMN1; SMN2ADORA2AKMT2A | |
| SCHEMBL7708813 | 0.81 | NPC1 (0.37) | KDM4ENPC1ALDH1A1RAB9AADORA2A | |
| SCHEMBL7708784 | 0.80 | SMN1; SMN2 (0.54) | KDM4ENPC1ALDH1A1HPGDRAB9A |
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 |
|---|---|---|---|---|---|---|---|
| US-6355653-B1 | DRUG AND CARRIER FOR ANTIALLERGENS, BRAIN DISORDERS AND NEUROTRANSMITTERS | HOFFMANN-LA ROCHE INC. | 2002-03-12 | — | — | US | disclosed |