Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.50 |
| ▸ | RAB9A | P51151 | 5/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.50 |
| ▸ | ACHE | P22303 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.45 |
| ▸ | CES1 | P23141 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Acetoacetic Acid SCHEMBL28140837 | 1.00 | NPC1 (0.50) | NPC1RAB9AKMT2ALMNAMEN1 | |
| Toluene SCHEMBL28153542 | 0.91 | LMNA (0.55) | NPC1RAB9AKMT2ALMNAMEN1 | |
| Toluene SCHEMBL2598282 | 0.88 | LMNA (0.52) | NPC1RAB9AKMT2ALMNAMEN1 | |
| Toluene SCHEMBL28361943 | 0.88 | LMNA (0.52) | NPC1RAB9AKMT2ALMNAMEN1 | |
| Toluene SCHEMBL1452591 | 0.88 | LMNA (0.58) | NPC1RAB9AKMT2ALMNAMEN1 | |
| Toluene SCHEMBL28244172 | 0.88 | LMNA (0.58) | NPC1RAB9AKMT2ALMNAMEN1 | |
| Toluene SCHEMBL1127533 | 0.88 | LMNA (0.58) | NPC1RAB9AKMT2ALMNAMEN1 | |
| Acetoacetic Acid SCHEMBL9091733 | 0.86 | GAA (0.45) | RAB9AKMT2AMEN1TSHRSMN1; SMN2 | |
| Biphenyl SCHEMBL8077261 | 0.84 | SMN1; SMN2 (0.52) | NPC1RAB9ALMNATSHRSMN1; SMN2 | |
| Biphenyl SCHEMBL27519918 | 0.84 | SMN1; SMN2 (0.52) | NPC1RAB9ALMNATSHRSMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1992012130-A1 | PIPERIDINE DERIVATIVES | SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) | 1992-07-23 | — | — | WO | disclosed |