Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.67 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.67 |
| ▸ | TSHR | P16473 | 1/20 | 0.67 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.67 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.48 |
| ▸ | PRKDC | P78527 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | ERN1 | O75460 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.40 |
| ▸ | HMGCR | P04035 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL668963 | 0.92 | ALDH1A1 (0.67) | ALDH1A1KDM4ETSHRTDP1LMNA | |
| SCHEMBL20135982 | 0.90 | ALDH1A1 (0.63) | ALDH1A1KDM4ETSHRTDP1LMNA | |
| SCHEMBL14474304 | 0.86 | ALDH1A1 (0.50) | ALDH1A1KDM4ETSHRTDP1LMNA | |
| SCHEMBL9846181 | 0.85 | ALDH1A1 (0.57) | ALDH1A1KDM4ETSHRTDP1LMNA | |
| SCHEMBL13978005 | 0.85 | ALDH1A1 (0.62) | ALDH1A1KDM4ETSHRTDP1LMNA | |
| SCHEMBL11158133 | 0.83 | ERN1 (0.47) | ALDH1A1KDM4ETSHRTDP1LMNA | |
| SCHEMBL10849623 | 0.83 | ALDH1A1 (0.86) | ALDH1A1KDM4ETSHRTDP1LMNA | |
| SCHEMBL14457224 | 0.81 | ERN1 (0.54) | ALDH1A1KDM4ETSHRTDP1LMNA | |
| SCHEMBL7724901 | 0.81 | ALDH1A1 (0.57) | ALDH1A1KDM4ETSHRTDP1LMNA | |
| Asaraldehyde SCHEMBL333451 | 0.81 | ALDH1A1 (1.00) | ALDH1A1KDM4ETSHRTDP1LMNA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009066060-A2 | 4-SUBSTITUTED-6-ISOPROPYL-BENZENE-1,3-DIOL COMPOUNDS AND THEIR USE | TOPOTARGET A/S (DK) | 2009-05-28 | — | — | WO | disclosed |
| WO-2009066060-A2 | 4-SUBSTITUTED-6-ISOPROPYL-BENZENE-1,3-DIOL COMPOUNDS AND THEIR USE | TOPOTARGET A/S (DK) | 2009-05-28 | — | — | WO | disclosed |
| US-5604241-A | Substituted benzylaminoquinuclidines as substance P antagonists | PFIZER INC. (US) | 1997-02-18 | — | — | US | disclosed |
| EP-0665844-A1 | SUBSTITUTED BENZYLAMINOQUINUCLIDINES AS SUBSTANCE P ANTAGONISTS | PFIZER INC. (US) | 1995-08-09 | — | — | EP | disclosed |
| WO-1994008997-A1 | SUBSTITUTED BENZYLAMINOQUINUCLIDINES AS SUBSTANCE P ANTAGONISTS | PFIZER INC. (US) | 1994-04-28 | — | — | WO | disclosed |