Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.34 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | TLR4 | O00206 | 1/20 | 0.31 |
| ▸ | NOS3 | P29474 | 2/20 | 0.30 |
| ▸ | NOS1 | P29475 | 2/20 | 0.30 |
| ▸ | NOS2 | P35228 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL346371 | 0.70 | CRBN (0.34) | CRBNPDK1ALDH1A1SMN1; SMN2TLR4 | |
| SCHEMBL10400696 | 0.70 | CRBN (0.44) | CRBNPDK1ALDH1A1HPGDHTT | |
| SCHEMBL9307153 | 0.70 | CRBN (0.34) | CRBNPDK1ALDH1A1SMN1; SMN2TLR4 | |
| SCHEMBL2490574 | 0.68 | MEN1 (0.39) | CYP1A2CYP2C19LMNATP53ALDH1A1 | |
| SCHEMBL1523123 | 0.66 | — | — | |
| SCHEMBL418184 | 0.66 | — | — | |
| SCHEMBL106510 | 0.66 | — | — | |
| SCHEMBL6207737 | 0.64 | — | — | |
| SCHEMBL22427706 | 0.64 | CRBN (0.33) | CRBNTLR4 | |
| SCHEMBL22388203 | 0.64 | TLR4 (0.33) | CRBNPDK1ALDH1A1HPGDHTT |
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-6255305-B1 | PSYCHOLOGICAL DISORDERS | MERCK SHARP & DOHME LIMITED (GB) | 2001-07-03 | — | — | US | disclosed |
| EP-0915875-A2 | SUBSTITUTED TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LTD. (GB) | 1999-05-19 | — | — | EP | disclosed |
| WO-1998004559-A2 | SUBSTITUTED TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 1998-02-05 | — | — | WO | disclosed |