Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 2/20 | 0.45 |
| ▸ | BCHE | P06276 | 3/20 | 0.43 |
| ▸ | ACHE | P22303 | 3/20 | 0.43 |
| ▸ | BACE1 | P56817 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | KDM1A | O60341 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | FYN | P06241 | 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 | |
|---|---|---|---|---|
| SCHEMBL2198525 | 0.74 | KDM1A (0.58) | GRIN2BBCHEACHEBACE1RAB9A | |
| SCHEMBL433970 | 0.74 | GRIN2B (0.69) | GRIN2BBCHEACHEBACE1RAB9A | |
| SCHEMBL2936924 | 0.74 | KDM1A (0.58) | GRIN2BBCHEACHEBACE1RAB9A | |
| SCHEMBL2197651 | 0.74 | KDM1A (0.58) | GRIN2BBCHEACHEBACE1RAB9A | |
| SCHEMBL2798417 | 0.74 | KDM1A (0.58) | GRIN2BBCHEACHEBACE1RAB9A | |
| SCHEMBL2197644 | 0.74 | KDM1A (0.58) | GRIN2BBCHEACHEBACE1RAB9A | |
| SCHEMBL491107 | 0.74 | KDM1A (0.58) | GRIN2BBCHEACHEBACE1RAB9A | |
| SCHEMBL1830687 | 0.73 | ALDH1A1 (0.42) | RAB9AALDH1A1KDM4EHPGDEPHX1 | |
| SCHEMBL24574127 | 0.72 | HRH3 (0.71) | GRIN2BBCHEACHEBACE1RAB9A | |
| SCHEMBL1847296 | 0.72 | HRH3 (0.71) | GRIN2BBCHEACHEBACE1RAB9A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6756380-B1 | NEUROKININ 1 RECEPTOR ANTAGONISTS | HOFFMANN-LA ROCHE INC. | 2004-06-29 | — | — | US | disclosed |
| EP-1187814-A2 | 5-PHENYL-PYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-03-20 | — | — | EP | disclosed |
| WO-2000073278-A2 | 5-PHENYL-PYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2000-12-07 | — | — | WO | disclosed |