Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | GFER | P55789 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 3/20 | 0.39 |
| ▸ | MAOA | P21397 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | CA6 | P23280 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL680484 | 0.80 | CYP3A4 (0.57) | ALDH1A1CYP3A4TSHRTDP1GFER | |
| SCHEMBL16255071 | 0.78 | CHRM2 (0.48) | ALDH1A1TDP1LMNACYP1A2ALOX15 | |
| SCHEMBL13906422 | 0.76 | LMNA (0.54) | ALDH1A1CYP3A4LMNACYP1A2ALOX15 | |
| SCHEMBL11594280 | 0.76 | TAAR1 (0.50) | ALDH1A1LMNACYP1A2ALOX15CYP2C19 | |
| SCHEMBL3501486 | 0.75 | CYP3A4 (0.61) | ALDH1A1CYP3A4TDP1LMNACYP1A2 | |
| SCHEMBL2125786 | 0.74 | TDP1 (0.55) | ALDH1A1CYP3A4TSHRTDP1GFER | |
| Hydrochloric Acid SCHEMBL7338503 | 0.73 | MAPT (0.65) | ALDH1A1CYP3A4TDP1LMNACYP1A2 | |
| Hydrochloric Acid SCHEMBL28530217 | 0.73 | MAPT (0.65) | ALDH1A1CYP3A4TDP1LMNACYP1A2 | |
| SCHEMBL14137298 | 0.73 | ALDH1A1 (0.55) | ALDH1A1LMNACYP1A2ALOX15CYP2C19 | |
| SCHEMBL11869981 | 0.73 | ALDH1A1 (0.60) | ALDH1A1LMNACYP1A2ALOX15CYP2C19 |
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-3966706-A | 2,6-Dihydroxy-3-cyano-4-methylpyridine containing azo dyes which contain a functional amino group | CIBA-GEIGY AG (CH) | 1976-06-29 | — | — | US | disclosed |