Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.40 |
| ▸ | NPC1 | O15118 | 4/20 | 0.39 |
| ▸ | RAB9A | P51151 | 4/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | ATM | Q13315 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| P-Xylene SCHEMBL27590655 | 0.88 | ACHE (0.57) | ACHETDP1ALDH1A1LMNACES2 | |
| P-Xylene SCHEMBL27509708 | 0.88 | ACHE (0.57) | ACHETDP1ALDH1A1LMNACES2 | |
| P-Xylene SCHEMBL7709712 | 0.88 | ACHE (0.57) | ACHETDP1ALDH1A1LMNACES2 | |
| P-Xylene SCHEMBL10491491 | 0.82 | ACHE (0.67) | ACHETDP1ALDH1A1LMNACES2 | |
| M-Xylene SCHEMBL9619325 | 0.80 | ACHE (0.55) | ACHEALDH1A1LMNANPC1RAB9A | |
| P-Xylene SCHEMBL28317794 | 0.78 | ACHE (0.73) | ACHETDP1ALDH1A1LMNACES2 | |
| P-Xylene SCHEMBL28063776 | 0.78 | ACHE (0.73) | ACHETDP1ALDH1A1LMNACES2 | |
| Ammonia Solution, Strong SCHEMBL17670037 | 0.76 | TDP1 (0.42) | ACHETDP1ALDH1A1LMNACES2 | |
| Phosphonic Acid SCHEMBL9242963 | 0.74 | — | — | |
| Cyclohexane SCHEMBL6577579 | 0.74 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0210043-B1 | CONTRAST AGENT FOR NMR SCANNING | GUERBET S.A. (FR) | 1992-01-08 | — | — | EP | disclosed |
| US-4880007-A | AMINO DI- OR POLYPHOSPHONATE-PARAMAGNETIC METAL ION COMPLEX | AMERSHAM INTERNATIONAL PLC (GB) | 1989-11-14 | — | — | US | disclosed |
| EP-0210043-A2 | Contrast agent for NMR scanning | GUERBET S.A. (FR) | 1987-01-28 | — | — | EP | disclosed |