Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.45 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | DPP4 | P27487 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | METAP2 | P50579 | 1/20 | 0.40 |
| ▸ | METAP1 | P53582 | 1/20 | 0.40 |
| ▸ | PLAAT3 | P53816 | 1/20 | 0.40 |
| ▸ | PLAAT5 | Q96KN8 | 1/20 | 0.40 |
| ▸ | PLAAT2 | Q9NWW9 | 1/20 | 0.40 |
| ▸ | PLAAT4 | Q9UL19 | 1/20 | 0.40 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.40 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.40 |
| ▸ | MMP8 | P22894 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4060725 | 0.82 | CNR2 (0.49) | CYP1A2SMN1; SMN2ALDH1A1 | |
| SCHEMBL17590597 | 0.81 | TAAR1 (0.45) | TAAR1FFAR1DPP4SMN1; SMN2ALDH1A1 | |
| SCHEMBL12400797 | 0.81 | FFAR1 (0.47) | CYP1A2CYP2A6TAAR1FFAR1TDP1 | |
| SCHEMBL7714607 | 0.80 | FFAR1 (0.44) | CYP1A2CYP2A6TAAR1FFAR1TDP1 | |
| SCHEMBL11836621 | 0.80 | MMP12 (0.58) | FFAR1 | |
| SCHEMBL25181550 | 0.79 | TSHR (0.50) | CYP1A2CYP2A6TAAR1FFAR1TDP1 | |
| SCHEMBL11825954 | 0.79 | S1PR2 (0.47) | CYP1A2CYP2A6TAAR1FFAR1TDP1 | |
| SCHEMBL17590311 | 0.79 | TSHR (0.50) | CYP1A2CYP2A6TAAR1FFAR1TDP1 | |
| SCHEMBL28741540 | 0.78 | KIF11 (0.54) | CYP1A2CYP2A6TAAR1FFAR1TDP1 | |
| SCHEMBL11827938 | 0.78 | FFAR1 (0.45) | CYP1A2CYP2A6TAAR1FFAR1TDP1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2604595-A1 | TRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOUND THAT CONTAINS SAME AND EXHIBITS ANALGESIC ACTIVITY | Shionogi&Co., Ltd. (JP) | 2013-06-19 | — | — | EP | disclosed |