Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.46 |
| ▸ | RAB9A | P51151 | 5/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.36 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 4/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.32 |
| ▸ | PPARA | Q07869 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9871694 | 0.89 | ALDH1A1 (0.38) | NPC1RAB9AALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL16790535 | 0.88 | NPC1 (0.36) | NPC1RAB9AALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL10501802 | 0.87 | ALDH1A1 (0.37) | NPC1RAB9AALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL11547319 | 0.86 | ALDH1A1 (0.38) | NPC1RAB9AALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL10502233 | 0.85 | NPC1 (0.35) | NPC1RAB9AALDH1A1SMN1; SMN2ABCB11 | |
| SCHEMBL10502738 | 0.85 | ALDH1A1 (0.35) | NPC1RAB9AALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL10580258 | 0.84 | ALDH1A1 (0.35) | NPC1RAB9AALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL11541993 | 0.84 | ALDH1A1 (0.44) | NPC1RAB9AALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL11542658 | 0.82 | BCHE (0.38) | ALDH1A1 | |
| Bumetrizole SCHEMBL9577821 | 0.82 | NPC1 (0.48) | NPC1RAB9AALDH1A1SMN1; SMN2KDM4E |
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-4845180-A | POLYURETHANES FOR CONTACT LENSES AND EYEGLASSES | ALLERGAN, INC. (US) | 1989-07-04 | — | — | US | disclosed |