Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | HTR6 | P50406 | 1/20 | 0.33 |
| ▸ | PTK2 | Q05397 | 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 | |
|---|---|---|---|---|
| SCHEMBL6516130 | 0.80 | — | — | |
| SCHEMBL7032946 | 0.80 | TSHR (0.46) | CYP3A4SMN1; SMN2TP53MEN1KMT2A | |
| SCHEMBL9225327 | 0.80 | HSD17B10 (0.36) | TDP1SMN1; SMN2TP53ALDH1A1PKM | |
| SCHEMBL16943409 | 0.80 | ALDH1A1 (0.46) | ALDH1A1 | |
| SCHEMBL17231836 | 0.80 | ALDH1A1 (0.48) | TDP1CYP3A4ALOX15SMN1; SMN2THRB | |
| SCHEMBL10469386 | 0.80 | TDP1 (0.43) | TDP1CYP3A4ALOX15SMN1; SMN2TP53 | |
| SCHEMBL6516090 | 0.79 | — | — | |
| SCHEMBL6512712 | 0.79 | — | — | |
| SCHEMBL6516081 | 0.79 | — | — | |
| SCHEMBL6511552 | 0.79 | NPC1 (0.44) | MEN1KMT2AALDH1A1MAPTRAB9A |
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-3557998-B1 | COMPOUNS, COMPOSITIONS AND METHODS OF USE | AQUINNAH PHARMACEUTICALS INC (US) | 2023-08-16 | — | — | EP | disclosed |
| US-4321393-A | Method for preparing 2-cyanamidobenzimidazoles or 2-cyanamidobenzoxazoles | SMITHKLINE CORPORATION (US) | 1982-03-23 | — | — | US | disclosed |
| US-4285878-A | N-Phenyl-N'-cyano-O-phenylisoureas | SMITHKLINE CORPORATION (US) | 1981-08-25 | — | — | US | disclosed |