Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.54 |
| ▸ | CRHR1 | P34998 | 4/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL773077 | 0.86 | ALDH1A1 (0.54) | ALDH1A1CRHR1HPGDTSHRNPC1 | |
| SCHEMBL4393473 | 0.70 | RXFP1 (0.53) | ALDH1A1HPGDTSHRNPC1POLB | |
| SCHEMBL4473418 | 0.69 | RXFP1 (0.70) | ALDH1A1HPGDTSHRNPC1SMN1; SMN2 | |
| SCHEMBL774683 | 0.68 | LCK (0.52) | ALDH1A1CRHR1NPC1POLBSMN1; SMN2 | |
| SCHEMBL3726304 | 0.68 | ALDH1A1 (0.53) | ALDH1A1CRHR1HPGDTSHR | |
| SCHEMBL6928652 | 0.66 | CRHR1 (1.00) | ALDH1A1CRHR1HPGDNPC1KMT2A | |
| SCHEMBL3722761 | 0.65 | SMN1; SMN2 (0.61) | ALDH1A1HPGDNPC1SMN1; SMN2MEN1 | |
| SCHEMBL3577082 | 0.64 | ALDH1A1 (0.62) | ALDH1A1HPGDTSHRNPC1POLB | |
| SCHEMBL8555317 | 0.64 | ALDH1A1 (0.76) | ALDH1A1HPGDTSHRNPC1SMN1; SMN2 | |
| SCHEMBL16238270 | 0.63 | RAB9A (0.64) | ALDH1A1NPC1POLBSMN1; SMN2MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1758564-A2 | SYNERGISTIC METHODS AND COMPOSITIONS FOR TREATING CANCER | Brystol-Myers Squibb Company (US) | 2007-03-07 | — | — | EP | disclosed |
| WO-2005094376-A2 | SYNERGISTIC METHODS AND COMPOSITIONS FOR TREATING CANCER | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-10-13 | — | — | WO | disclosed |