Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 9/20 | 1.00 |
| ▸ | CYP1A1 | P04798 | 8/20 | 1.00 |
| ▸ | CYP1B1 | Q16678 | 8/20 | 1.00 |
| ▸ | CYP2D6 | P10635 | 7/20 | 1.00 |
| ▸ | CYP3A4 | P08684 | 6/20 | 1.00 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.85 |
| ▸ | CTSL | P07711 | 1/20 | 0.85 |
| ▸ | CTSB | P07858 | 1/20 | 0.85 |
| ▸ | MAPT | P10636 | 4/20 | 0.72 |
| ▸ | LMNA | P02545 | 3/20 | 0.72 |
| ▸ | NPC1 | O15118 | 3/20 | 0.72 |
| ▸ | RAB9A | P51151 | 2/20 | 0.72 |
| ▸ | BCHE | P06276 | 1/20 | 0.72 |
| ▸ | HPGD | P15428 | 2/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.65 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.65 |
| ▸ | MAOB | P27338 | 2/20 | 0.63 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.61 |
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 | |
|---|---|---|---|---|
| SCHEMBL17233278 | 0.88 | CYP1A1 (0.82) | CYP1A2CYP1A1CYP1B1CYP2D6CYP3A4 | |
| SCHEMBL12306208 | 0.85 | CYP1A1 (0.73) | CYP1A2CYP1A1CYP1B1CYP2D6CYP3A4 | |
| SCHEMBL17232029 | 0.85 | CYP1A2 (1.00) | CYP1A2CYP1A1CYP1B1CYP2D6CYP3A4 | |
| SCHEMBL1723179 | 0.84 | MAPT (1.00) | CYP1A2CYP1A1CYP1B1CYP2D6CYP3A4 | |
| SCHEMBL1723180 | 0.84 | MAPT (1.00) | CYP1A2CYP1A1CYP1B1CYP2D6CYP3A4 | |
| SCHEMBL17233276 | 0.83 | CYP1A1 (1.00) | CYP1A2CYP1A1CYP1B1CYP2D6CYP3A4 | |
| SCHEMBL9567804 | 0.82 | MAPT (0.70) | CYP1A2CYP1A1CYP1B1CYP2D6CYP3A4 | |
| SCHEMBL3600036 | 0.81 | CYP1A1 (0.67) | CYP1A2CYP1A1CYP1B1CYP2D6CYP3A4 | |
| SCHEMBL3600030 | 0.81 | CYP1A1 (0.67) | CYP1A2CYP1A1CYP1B1CYP2D6CYP3A4 | |
| SCHEMBL3597959 | 0.80 | MAPT (0.72) | CYP1A2CYP1A1CYP1B1CYP2D6CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015166043-A1 | COMPOUNDS | DE MONTFORT UNIVERSITY (GB) | 2015-11-05 | — | — | WO | disclosed |