Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.43 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.43 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPK7 | Q13164 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
| ▸ | CCR3 | P51677 | 1/20 | 0.38 |
| ▸ | MGLL | Q99685 | 1/20 | 0.38 |
| ▸ | MCHR1 | Q99705 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5546584 | 0.77 | MAPK1 (0.46) | LMNAALDH1A1TSHRRAB9AMEN1 | |
| SCHEMBL2472926 | 0.65 | TAS1R3 (0.67) | TAS1R3TAS1R1TAS1R2LMNAALDH1A1 | |
| SCHEMBL3547392 | 0.64 | PDK2 (0.56) | TAS1R3TAS1R1TAS1R2MAPK7HSD11B1 | |
| SCHEMBL3547391 | 0.64 | PDK2 (0.56) | TAS1R3TAS1R1TAS1R2MAPK7HSD11B1 | |
| SCHEMBL4575139 | 0.63 | TAS1R3 (0.61) | TAS1R3TAS1R1TAS1R2LMNAALDH1A1 | |
| SCHEMBL14553706 | 0.63 | MAOB (0.58) | CYP1A2CYP3A4CYP2C9CYP2C19LMNA | |
| SCHEMBL30184372 | 0.62 | TAS1R3 (0.56) | TAS1R3TAS1R1TAS1R2TSHRNPC1 | |
| SCHEMBL18525797 | 0.62 | TAS1R3 (0.59) | TAS1R3TAS1R1TAS1R2NPC1RAB9A | |
| SCHEMBL30870756 | 0.62 | TAS1R3 (0.59) | TAS1R3TAS1R1TAS1R2NPC1RAB9A | |
| SCHEMBL5334251 | 0.62 | MMP13 (0.81) | CYP3A4CYP2C9LMNAALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| JP-2007534719-A | — | — | 2007-11-29 | — | — | JP | claimed |
| EP-1742925-A1 | SUBSTITUTED 5, 6, 7, 8-TETRAHYDRO-PYRIDO[4, 3-D]PYRIMIDINE-2-YL COMPOUNDS AND 5, 6, 7, 8-TETRAHYDRO-QUINAZOLINE-2-YL COMPOUNDS | Grünenthal GmbH (DE) | 2007-01-17 | — | — | EP | claimed |
| WO-2005105759-A1 | SUBSTITUTED 5, 6, 7, 8-TETRAHYDRO-PYRIDO[4, 3-D]PYRIMIDINE-2-YL COMPOUNDS AND 5, 6, 7, 8-TETRAHYDRO-QUINAZOLINE-2-YL COMPOUNDS | Grünenthal GmbH (DE) | 2005-11-10 | — | — | WO | claimed |