Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.41 |
| ▸ | RAB9A | P51151 | 5/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.41 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.39 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.39 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.39 |
| ▸ | MCHR1 | Q99705 | 4/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.36 |
| ▸ | SSTR3 | P32745 | 1/20 | 0.36 |
| ▸ | WNT1 | P04628 | 1/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.36 |
| ▸ | KCNQ3 | O43525 | 2/20 | 0.35 |
| ▸ | KCNQ2 | O43526 | 2/20 | 0.35 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9920869 | 0.86 | NPC1 (0.42) | NPC1RAB9ASMN1; SMN2TAS1R3TAS1R1 | |
| SCHEMBL18558207 | 0.86 | MLLT3 (0.37) | NPC1RAB9ASMN1; SMN2TAS1R3TAS1R1 | |
| SCHEMBL18558490 | 0.85 | RAB9A (0.40) | NPC1RAB9ASMN1; SMN2TAS1R3TAS1R1 | |
| SCHEMBL18558421 | 0.85 | TRPV1 (0.41) | SMN1; SMN2EPHX2HTT | |
| SCHEMBL9920911 | 0.84 | NPC1 (0.39) | NPC1RAB9ASMN1; SMN2TAS1R3TAS1R1 | |
| SCHEMBL18558211 | 0.84 | WNT1 (0.36) | NPC1RAB9ASMN1; SMN2TAS1R3TAS1R1 | |
| SCHEMBL18558297 | 0.83 | NR1H4 (0.38) | NPC1RAB9ASMN1; SMN2CYP3A4CYP2D6 | |
| SCHEMBL18558315 | 0.83 | KDM5B (0.38) | NPC1RAB9ASMN1; SMN2WNT1DYRK1A | |
| SCHEMBL18558432 | 0.81 | CHRNA1 (0.38) | NPC1RAB9ASMN1; SMN2KCNQ3KCNQ2 | |
| SCHEMBL18557680 | 0.80 | RAB9A (0.48) | NPC1RAB9ASMN1; SMN2CYP3A4CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| US-9580388-B2 | Pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof | LYCERA CORPORATION (US) | 2017-02-28 | — | — | US | disclosed |