Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | THRA | P10827 | 2/20 | 0.33 |
| ▸ | THRB | P10828 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL12966898 | 0.87 | MAPT (0.53) | NPC1MAPTRAB9ALMNAHPGD | |
| SCHEMBL47287 | 0.83 | MAPT (0.48) | NPC1MAPTRAB9ALMNACYP1A2 | |
| SCHEMBL12966626 | 0.83 | MAPT (0.48) | NPC1MAPTRAB9ALMNACYP1A2 | |
| SCHEMBL12966623 | 0.79 | NPC1 (0.42) | NPC1MAPTRAB9ALMNACYP1A2 | |
| SCHEMBL12966622 | 0.78 | NPC1 (0.44) | NPC1MAPTRAB9ALMNACYP1A2 | |
| SCHEMBL12966544 | 0.76 | KMT2A (0.46) | NPC1MAPTRAB9ACYP1A2CYP2C19 | |
| SCHEMBL14699615 | 0.72 | RAB9A (0.55) | NPC1MAPTRAB9ALMNAHPGD | |
| SCHEMBL14699621 | 0.72 | RAB9A (0.55) | NPC1MAPTRAB9ALMNAHPGD | |
| SCHEMBL12966662 | 0.70 | MAPT (0.51) | NPC1MAPTRAB9AALDH1A1 | |
| SCHEMBL12966537 | 0.69 | CYP1A2 (0.46) | NPC1MAPTRAB9ACYP1A2CYP2C19 |
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-2012130850-A1 | TISSUE TARGETING BY MEANS OF ONCOCIDAL BRIDGED DIPHENYL DERIVATIVES FOR THE SELECTIVE TREATMENT OF SEXUAL ORGAN TUMORS | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2012-10-04 | — | — | WO | disclosed |