Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 5/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | XBP1 | P17861 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | PNMT | P11086 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11303709 | 0.77 | ALDH1A1 (0.48) | LMNAALDH1A1HPGDMAPTNPC1 | |
| SCHEMBL31730954 | 0.75 | TAAR1 (0.48) | TAAR1PNMTTDP1 | |
| SCHEMBL23152122 | 0.74 | ALDH1A1 (0.44) | LMNAALDH1A1HPGDMAPTNPC1 | |
| SCHEMBL5149885 | 0.74 | SMN1; SMN2 (0.44) | ALDH1A1HPGDMAPTNPC1TP53 | |
| SCHEMBL7752152 | 0.72 | CYP1A2 (0.35) | LMNAHPGDMAPTNPC1TP53 | |
| Hydrochloric Acid SCHEMBL23304051 | 0.70 | TAAR1 (0.44) | TAAR1MAPTPNMTHSD17B10TDP1 | |
| SCHEMBL25171482 | 0.70 | PTGER4 (0.41) | LMNAALDH1A1HPGDMAPTNPC1 | |
| SCHEMBL7878527 | 0.70 | GPR35 (0.44) | ALDH1A1HPGDTP53SMN1; SMN2TSHR | |
| SCHEMBL24492363 | 0.70 | TAAR1 (0.46) | TAAR1ALDH1A1HPGDMAPTSMN1; SMN2 | |
| SCHEMBL11369484 | 0.70 | HSD17B10 (0.56) | TAAR1ALDH1A1HSD17B10TDP1VCAM1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1617807-A4 | SUBSTITUTED 1,4-DIAZEPINES AND USES THEREOF | ORTHO MCNEIL PHARM INC (US) | 2007-02-21 | — | — | EP | disclosed |
| EP-1617807-A2 | SUBSTITUTED 1,4-DIAZEPINES AND USES THEREOF | Ortho-McNeil Pharmaceuticals, Inc. (US) | 2006-01-25 | — | — | EP | disclosed |
| WO-2004096134-A2 | SUBSTITUTED 1,4-DIAZEPINES AND USES THEREOF | ORTHO-MCNEIL PHARMACEUTICALS, INC. (US) | 2004-11-11 | — | — | WO | disclosed |