Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 4/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | ABL1 | P00519 | 1/20 | 0.48 |
| ▸ | F2 | P00734 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | USP2 | O75604 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Morpholine SCHEMBL27904675 | 0.87 | NPC1 (0.49) | NPC1RAB9AHTTKMT2ATP53 | |
| SCHEMBL859237 | 0.86 | NPC1 (0.61) | NPC1RAB9AHTTKMT2AHPGD | |
| Hydrochloric Acid SCHEMBL27676954 | 0.85 | NPC1 (0.60) | NPC1RAB9AHTTKMT2AHPGD | |
| SCHEMBL28204092 | 0.85 | NPC1 (0.60) | NPC1RAB9AHTTKMT2AHPGD | |
| SCHEMBL28356552 | 0.80 | NPC1 (0.56) | NPC1RAB9AKMT2AHPGDHSD17B10 | |
| Ethoxycarbonyl Group SCHEMBL28796962 | 0.77 | NPC1 (0.52) | NPC1RAB9AKMT2AHPGDHSD17B10 | |
| Methacrylic Acid SCHEMBL20556204 | 0.77 | NPC1 (0.52) | NPC1RAB9AKMT2ATP53HPGD | |
| Ethyl Benzoate SCHEMBL4232370 | 0.76 | SMN1; SMN2 (0.54) | NPC1RAB9AKMT2AMAPTTDP1 | |
| Ethyl Benzoate SCHEMBL28797783 | 0.75 | SMN1; SMN2 (0.52) | NPC1RAB9AKMT2AMAPTTDP1 | |
| SCHEMBL4228029 | 0.74 | KMT2A (0.53) | NPC1RAB9AHTTKMT2AHPGD |
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 |
|---|---|---|---|---|---|---|---|
| CN-103130705-A | Benzo five-membered unsaturated heterocyclic compound or pharmaceutically acceptable salt thereof, and preparation method, pharmaceutical composition and application thereof | INST MEDICINAL BIOTECHNOLOGY | 2013-06-05 | — | — | CN | claimed |
| CN-103130705-A | Benzo five-membered unsaturated heterocyclic compound or pharmaceutically acceptable salt thereof, and preparation method, pharmaceutical composition and application thereof | INST MEDICINAL BIOTECHNOLOGY | 2013-06-05 | — | — | CN | disclosed |