Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | MPO | P05164 | 3/20 | 0.38 |
| ▸ | TPO | P07202 | 1/20 | 0.38 |
| ▸ | EPX | P11678 | 1/20 | 0.38 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | HTR6 | P50406 | 1/20 | 0.35 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8012292 | 0.80 | MAPT (0.39) | NOS3NOS2TDP1 | |
| SCHEMBL28267391 | 0.80 | NPC1 (0.53) | NPC1RAB9ASMN1; SMN2CYP3A4CYP1A2 | |
| SCHEMBL15912796 | 0.72 | MPO (0.45) | NPC1RAB9ASMN1; SMN2CYP3A4CYP1A2 | |
| SCHEMBL30665479 | 0.72 | MPO (0.45) | NPC1RAB9ASMN1; SMN2CYP3A4CYP1A2 | |
| SCHEMBL15520859 | 0.71 | DHFR (0.32) | NOS3NOS2HRH4TDP1 | |
| SCHEMBL2614741 | 0.68 | CALM1 (0.61) | NPC1RAB9ASMN1; SMN2CYP3A4CYP1A2 | |
| SCHEMBL16399558 | 0.67 | ALDH1A1 (0.46) | NPC1RAB9ASMN1; SMN2CYP3A4MPO | |
| SCHEMBL12290980 | 0.67 | CALM1 (0.55) | NPC1RAB9ASMN1; SMN2CYP3A4MPO | |
| SCHEMBL3416553 | 0.67 | HTR6 (0.57) | NPC1RAB9ASMN1; SMN2CYP3A4CYP1A2 | |
| SCHEMBL29376725 | 0.67 | NCF1 (0.50) | NPC1RAB9ASMN1; SMN2CYP1A2TDP1 |
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-2205570-A1 | 2-S-BENZYL SUBSTITUTED PYRIMIDINES AS CRTH2 ANTAGONISTS | Actimis Pharmaceuticals, Inc., (US) | 2010-07-14 | — | — | EP | disclosed |
| WO-2009042139-A1 | 2-S-BENZYL SUBSTITUTED PYRIMIDINES AS CRTH2 ANTAGONISTS | ACTIMIS PHARMACEUTICALS, INC. (US) | 2009-04-02 | — | — | WO | disclosed |