Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.38 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 7/20 | 0.35 |
| ▸ | NPC1 | O15118 | 6/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL17454393 | 0.84 | ALDH1A1 (0.38) | ALDH1A1KMT2ACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL16796408 | 0.83 | SMN1; SMN2 (0.46) | ALDH1A1KMT2ACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL17438035 | 0.82 | KMT2A (0.52) | ALDH1A1KMT2ACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL30209674 | 0.81 | CYP1A2 (0.40) | ALDH1A1KMT2ACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL17452573 | 0.81 | NPC1 (0.36) | ALDH1A1KMT2ACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL19902313 | 0.80 | ALDH1A1 (0.39) | ALDH1A1KMT2ACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL28111821 | 0.79 | ALDH1A1 (0.54) | ALDH1A1KMT2ACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL12535851 | 0.73 | TSHR (0.51) | ALDH1A1KMT2ARAB9ANPC1MEN1 | |
| SCHEMBL23985340 | 0.72 | DRD2 (0.39) | ALDH1A1CYP1A2CYP2D6RAB9ANPC1 | |
| SCHEMBL8531702 | 0.72 | CACNA1H (0.55) | ALDH1A1KMT2ACYP1A2CYP2D6CYP2C9 |
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-9902702-B2 | Spirocycloheptanes as inhibitors of rock | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-02-27 | — | — | US | disclosed |