Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RIPK1 | Q13546 | 5/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 7/20 | 0.36 |
| ▸ | NPC1 | O15118 | 6/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28112266 | 0.94 | KMT2A (0.40) | RIPK1KMT2APOLBTDP1ALDH1A1 | |
| SCHEMBL17065278 | 0.84 | KMT2A (0.40) | KMT2APOLBTDP1ALDH1A1CYP1A2 | |
| SCHEMBL17438083 | 0.82 | SMN1; SMN2 (0.47) | KMT2APOLBTDP1ALDH1A1CYP1A2 | |
| SCHEMBL2827007 | 0.81 | POLB (0.37) | KMT2APOLBTDP1ALDH1A1KDM4C | |
| SCHEMBL24914915 | 0.81 | KMT2A (0.44) | KMT2APOLBTDP1ALDH1A1CYP1A2 | |
| SCHEMBL31708636 | 0.80 | CNR2 (0.39) | RIPK1KMT2APOLBTDP1ALDH1A1 | |
| SCHEMBL17452574 | 0.80 | KMT2A (0.38) | KMT2APOLBTDP1ALDH1A1CYP1A2 | |
| SCHEMBL17437913 | 0.80 | KMT2A (0.59) | KMT2APOLBTDP1ALDH1A1CYP1A2 | |
| SCHEMBL28111821 | 0.80 | ALDH1A1 (0.54) | KMT2APOLBALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL17065285 | 0.78 | KMT2A (0.41) | RIPK1KMT2APOLBTDP1ALDH1A1 |
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 2 patents. 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 |
| CN-106068265-A | Dihydropyridone MGAT2 inhibitors for the treatment of metabolic disorders | 百时美施贵宝公司 | 2016-11-02 | — | — | CN | disclosed |