Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.42 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.35 |
| ▸ | LDHA | P00338 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | DPP4 | P27487 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8042985 | 0.77 | AHR (0.41) | ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2 | |
| SCHEMBL8045296 | 0.76 | DCUN1D1 (0.42) | ALDH1A1KDM4EDCUN1D1NPC1RAB9A | |
| SCHEMBL8046050 | 0.76 | ALDH1A1 (0.42) | ALDH1A1KDM4EDCUN1D1APOBEC3GTDP1 | |
| SCHEMBL8043000 | 0.76 | DCUN1D1 (0.42) | ALDH1A1KDM4EDCUN1D1APOBEC3GTDP1 | |
| SCHEMBL8033674 | 0.72 | ALDH1A1 (0.35) | ALDH1A1TDP1TSHR | |
| SCHEMBL4877279 | 0.70 | ALDH1A1 (0.38) | ALDH1A1KDM4EDCUN1D1TDP1NPC1 | |
| SCHEMBL8042822 | 0.68 | KDM4E (0.50) | ALDH1A1KDM4ETDP1CYP2A6NPC1 | |
| SCHEMBL8043101 | 0.68 | — | — | |
| SCHEMBL7819034 | 0.67 | KDM4E (0.38) | ALDH1A1KDM4EAPOBEC3GTDP1CYP2A6 | |
| SCHEMBL29883244 | 0.67 | CYP2A6 (0.67) | ALDH1A1KDM4EDCUN1D1APOBEC3GTDP1 |
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-6080772-A | 2-AMINOTHIAZOLE TRIAZOLE OR TETRAZOLE COMPOUND FOR REGULATING PROTEIN TYROSINE PHOSPHATASE ACTIVITY | SUGEN, INC. (US) | 2000-06-27 | — | — | US | disclosed |