Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 7/20 | 0.43 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.42 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.36 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11511860 | 0.86 | ALDH1A1 (0.41) | P2RX7GRM2ALDH1A1TSHRMEN1 | |
| SCHEMBL28015678 | 0.77 | GRM2 (0.43) | GRM2ALDH1A1TSHRNR3C1TRPM8 | |
| SCHEMBL2091478 | 0.76 | TMEM97 (0.39) | P2RX7TMEM97SIGMAR1DRD2DRD4 | |
| SCHEMBL2091482 | 0.76 | TMEM97 (0.39) | P2RX7TMEM97SIGMAR1DRD2DRD4 | |
| SCHEMBL6673503 | 0.75 | TSHR (0.44) | ALDH1A1TSHRMEN1KMT2ACYP1A2 | |
| Hydrochloric Acid SCHEMBL11496370 | 0.73 | TSHR (0.42) | ALDH1A1TSHRMEN1KMT2ACYP1A2 | |
| SCHEMBL29013279 | 0.72 | NR3C1 (0.46) | ALDH1A1TSHRNR3C1MEN1KMT2A | |
| SCHEMBL28015088 | 0.71 | GRM2 (0.40) | GRM2ALDH1A1TSHRNR3C1TRPM8 | |
| SCHEMBL10433003 | 0.69 | ALDH1A1 (0.50) | P2RX7ALDH1A1TSHRMEN1KMT2A | |
| SCHEMBL2091321 | 0.69 | NPSR1 (0.45) | TMEM97SIGMAR1ALDH1A1TSHRMEN1 |
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-4152452-A | N-BENZYLANILINE AND DERIVATIVES | WILLIAM H. RORER, INC. (US) | 1979-05-01 | — | — | US | disclosed |