Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.39 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.39 |
| ▸ | TGFBR1 | P36897 | 10/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.36 |
| ▸ | RELA | Q04206 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 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 | |
|---|---|---|---|---|
| SCHEMBL7709147 | 0.83 | KDR (0.48) | ALDH1A1KDM4ESMN1; SMN2MAPTMEN1 | |
| SCHEMBL7438035 | 0.76 | ADORA2A (0.59) | ALDH1A1KDM4ESMN1; SMN2MAPTMEN1 | |
| SCHEMBL7430006 | 0.76 | ADORA2A (0.49) | ALDH1A1KDM4ESMN1; SMN2MAPTMEN1 | |
| SCHEMBL7434291 | 0.73 | ALDH1A1 (0.57) | ALDH1A1KDM4ESMN1; SMN2MAPTMEN1 | |
| SCHEMBL7711665 | 0.72 | ALDH1A1 (0.39) | ALDH1A1KDM4ESMN1; SMN2MAPTMEN1 | |
| SCHEMBL7431271 | 0.70 | AMY1A (0.50) | ALDH1A1KDM4ESMN1; SMN2MAPTMEN1 | |
| SCHEMBL7703259 | 0.70 | ALDH1A1 (0.42) | ALDH1A1KDM4ESMN1; SMN2MAPTMEN1 | |
| SCHEMBL7433615 | 0.70 | KDM4E (0.39) | ALDH1A1KDM4ESMN1; SMN2MAPTMEN1 | |
| SCHEMBL7428728 | 0.69 | ALDH1A1 (0.43) | ALDH1A1KDM4ESMN1; SMN2MAPTMEN1 | |
| SCHEMBL7480280 | 0.69 | ADORA2A (0.59) | ALDH1A1KDM4ESMN1; SMN2MAPTMEN1 |
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 |