Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.33 |
| ▸ | TSHR | P16473 | 4/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | CTSD | P07339 | 1/20 | 0.33 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.33 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.33 |
| ▸ | CRHBP | P24387 | 1/20 | 0.33 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | MAOB | P27338 | 2/20 | 0.32 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8488708 | 0.77 | ALDH1A1 (0.48) | RAB9ASMN1; SMN2ALDH1A1MEN1KMT2A | |
| SCHEMBL1850854 | 0.69 | NR3C2 (0.41) | ALDH1A1MEN1KMT2ACYP1A2TRPM8 | |
| SCHEMBL9305266 | 0.67 | SMN1; SMN2 (0.47) | RAB9ASMN1; SMN2ALDH1A1MEN1KMT2A | |
| SCHEMBL267039 | 0.67 | SMN1; SMN2 (0.47) | RAB9ASMN1; SMN2ALDH1A1MEN1KMT2A | |
| SCHEMBL6157580 | 0.67 | RELA (0.39) | ALDH1A1MEN1KMT2ATDP1TSHR | |
| SCHEMBL3275188 | 0.67 | RELA (0.39) | RAB9AALDH1A1MEN1KMT2ATDP1 | |
| SCHEMBL1794087 | 0.67 | SMN1; SMN2 (0.47) | RAB9ASMN1; SMN2ALDH1A1MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL11380546 | 0.66 | SMN1; SMN2 (0.45) | RAB9ASMN1; SMN2ALDH1A1MEN1KMT2A | |
| SCHEMBL54929 | 0.64 | TSHR (0.48) | RAB9ASMN1; SMN2ALDH1A1TDP1TSHR | |
| SCHEMBL9222344 | 0.64 | RAB9A (0.44) | RAB9ASMN1; SMN2ALDH1A1MEN1KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1294695-A2 | SUBSTITUTED DIAMIDE DERIVATIVES USEFUL AS MOTILIN ANTAGONISTS | Ortho-McNeil Pharmaceutical, Inc. (US) | 2003-03-26 | — | — | EP | claimed |
| WO-2001085694-A2 | SUBSTITUTED DIAMIDE DERIVATIVES USEFUL AS MOTILIN ANTAGONISTS | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2001-11-15 | — | — | WO | claimed |